Monday, August 1, 2011

http://ChemLookup.com Compounds



CAS RN: 73941-31-8
CAS Name: N-(thiophen-2-ylmethyl)hydroxylamine chloride
OPENEYE Name: N-(2-thienylmethyl)hydroxylamine chloride
IUPAC Name: N-(thiophen-2-ylmethyl)hydroxylamine chloride
SYSTEMATIC NAME: N-(thiophen-2-ylmethyl)hydroxylamine chloride
MOLECULAR FORMULA: C5H7ClNOS-
MOLECULAR WEIGHT: 164.63318
SMILES: C1=CSC(=C1)CNO.[Cl-]
Structure:
CAS RN: 15990-97-3
CAS Name: 3-[bis(2-chloroethyl)amino]-N-(2-oxo-1-benzopyran-6-yl)propanamide hydrochloride
OPENEYE Name: 3-[bis(2-chloroethyl)amino]-N-(2-oxochromen-6-yl)propanamide hydrochloride
IUPAC Name: 3-[bis(2-chloroethyl)amino]-N-(2-oxochromen-6-yl)propanamide hydrochloride
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino]-N-(2-oxidanylidenechromen-6-yl)propanamide hydrochloride
MOLECULAR FORMULA: C16H19Cl3N2O3
MOLECULAR WEIGHT: 393.69266
SMILES: C1=CC2=C(C=CC(=O)O2)C=C1NC(=O)CCN(CCCl)CCCl.Cl
Structure:
CAS RN: 36519-42-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H45N4O5+
MOLECULAR WEIGHT: 685.8305
SMILES: C/C=C\1/CN2CCC3=C(C2CC1C(CC4=C[N+]5=C(CC6C(C5)C(OC=C6C(=O)OC)C)C7=C4C8=CC=CC=C8N7)C(=O)OC)NC9=CC=CC=C39
Structure:
CAS RN: 1684-40-8
CAS Name: 1,2,3,4-tetrahydroacridin-9-amine chloride
OPENEYE Name: 1,2,3,4-tetrahydroacridin-9-amine chloride
IUPAC Name: 1,2,3,4-tetrahydroacridin-9-amine chloride
SYSTEMATIC NAME: 1,2,3,4-tetrahydroacridin-9-amine chloride
MOLECULAR FORMULA: C13H14ClN2-
MOLECULAR WEIGHT: 233.71666
SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N.[Cl-]
Structure:
CAS RN: 6533-27-3
CAS Name: 3-[(4aR,8aR)-1'-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine]yl]-N,N-dimethyl-1-propanamine chloride
OPENEYE Name: 3-[(4aR,8aR)-spiro[decalin-2,4'-piperidine]-1'-yl]-N,N-dimethyl-propan-1-amine chloride
IUPAC Name: 3-[(4aR,8aR)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine]-1'-yl]-N,N-dimethylpropan-1-amine chloride
SYSTEMATIC NAME: 3-[(4aR,8aR)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine]-1'-yl]-N,N-dimethyl-propan-1-amine chloride
MOLECULAR FORMULA: C19H36ClN2-
MOLECULAR WEIGHT: 327.95554
SMILES: CN(C)CCCN1CCC2(CC[C@H]3CCCC[C@@H]3C2)CC1.[Cl-]
Structure:
CAS RN: 5597-38-6
CAS Name: 4-azabicyclo[3.2.2]nonane chloride
OPENEYE Name: 4-azabicyclo[3.2.2]nonane chloride
IUPAC Name: 4-azabicyclo[3.2.2]nonane chloride
SYSTEMATIC NAME: 4-azabicyclo[3.2.2]nonane chloride
MOLECULAR FORMULA: C8H15ClN-
MOLECULAR WEIGHT: 160.6644
SMILES: C1CC2CCC1CCN2.[Cl-]
Structure:
CAS RN: 7379-37-5
CAS Name: (2-hydroxy-5-methylphenyl)-dimethylsulfonium chloride
OPENEYE Name: (2-hydroxy-5-methyl-phenyl)-dimethyl-sulfonium chloride
IUPAC Name: (2-hydroxy-5-methylphenyl)-dimethylsulfanium chloride
SYSTEMATIC NAME: dimethyl-(5-methyl-2-oxidanyl-phenyl)sulfanium chloride
MOLECULAR FORMULA: C9H13ClOS
MOLECULAR WEIGHT: 204.71692
SMILES: CC1=CC(=C(C=C1)O)[S+](C)C.[Cl-]
Structure:
CAS RN: 2320-76-5
CAS Name: 6-ethoxy-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one chloride
OPENEYE Name: 6-ethoxy-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one chloride
IUPAC Name: 6-ethoxy-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one chloride
SYSTEMATIC NAME: 6-ethoxy-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one chloride
MOLECULAR FORMULA: C8H9ClN3O2-
MOLECULAR WEIGHT: 214.62896
SMILES: CCOC1=CC2=C(N1)C(=O)N=CN2.[Cl-]
Structure:
CAS RN: 6527-68-0
CAS Name: 2-[[(4-aminophenyl)-oxomethyl]amino]-5-[[[4-[[(4-aminophenyl)-oxomethyl]amino]-3-sulfoanilino]-oxomethyl]amino]benzenesulfonic acid; sodium
OPENEYE Name: 2-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfo-phenyl]carbamoylamino]benzenesulfonic acid; sodium
IUPAC Name: 2-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]carbamoylamino]benzenesulfonic acid; sodium
SYSTEMATIC NAME: 2-[(4-aminophenyl)carbonylamino]-5-[[4-[(4-aminophenyl)carbonylamino]-3-sulfo-phenyl]carbamoylamino]benzenesulfonic acid; sodium
MOLECULAR FORMULA: C27H24N6NaO9S2
MOLECULAR WEIGHT: 663.63403
SMILES: C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N.[Na]
Structure:
CAS RN: 6492-56-4
CAS Name: 4-[4-(2,4-diaminophenyl)azophenyl]azobenzenesulfonic acid; sodium
OPENEYE Name: 4-[4-(2,4-diaminophenyl)azophenyl]azobenzenesulfonic acid; sodium
IUPAC Name: 4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid; sodium
SYSTEMATIC NAME: 4-[[4-[[2,4-bis(azanyl)phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid; sodium
MOLECULAR FORMULA: C18H16N6NaO3S
MOLECULAR WEIGHT: 419.41281
SMILES: C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C(C=C(C=C3)N)N.[Na]
Structure:
CAS RN: 3244-97-1
CAS Name: 2-amino-3-methyl-5-(2-methyl-4-sulfophenyl)azobenzenesulfonic acid; sodium
OPENEYE Name: 2-amino-3-methyl-5-(2-methyl-4-sulfo-phenyl)azo-benzenesulfonic acid; sodium
IUPAC Name: 2-amino-3-methyl-5-[(2-methyl-4-sulfophenyl)diazenyl]benzenesulfonic acid; sodium
SYSTEMATIC NAME: 2-azanyl-3-methyl-5-[(2-methyl-4-sulfo-phenyl)diazenyl]benzenesulfonic acid; sodium
MOLECULAR FORMULA: C14H15N3NaO6S2
MOLECULAR WEIGHT: 408.40517
SMILES: CC1=CC(=CC(=C1N)S(=O)(=O)O)N=NC2=C(C=C(C=C2)S(=O)(=O)O)C.[Na]
Structure:
CAS RN: 1556-46-3
CAS Name: 5-methylisoquinolino[1,2-a]isoquinolin-7-ium perchlorate
OPENEYE Name: 5-methylisoquinolino[1,2-a]isoquinolin-7-ium perchlorate
IUPAC Name: 5-methylisoquinolino[1,2-a]isoquinolin-7-ium perchlorate
SYSTEMATIC NAME: 5-methylisoquinolino[1,2-a]isoquinolin-7-ium perchlorate
MOLECULAR FORMULA: C18H14ClNO4
MOLECULAR WEIGHT: 343.76106
SMILES: CC1=C[N+]2=C(C3=CC=CC=C3C=C2)C4=CC=CC=C14.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 25786-99-6
CAS Name: 1-[4-[[oxo-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]methyl]amino]phenyl]-3-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea chloride
IUPAC Name: 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea chloride
SYSTEMATIC NAME: 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea chloride
MOLECULAR FORMULA: C28H30ClN8O2-
MOLECULAR WEIGHT: 546.0432
SMILES: C1CNC(=NC1)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C5=NCCCN5.[Cl-]
Structure:
CAS RN: 27447-08-1
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(3-acetyl-1-pyridin-1-iumyl)-2-oxanyl]methyl ester bromide
OPENEYE Name: [3,4,5-triacetoxy-6-(3-acetylpyridin-1-ium-1-yl)tetrahydropyran-2-yl]methyl acetate bromide
IUPAC Name: [3,4,5-triacetyloxy-6-(3-acetylpyridin-1-ium-1-yl)oxan-2-yl]methyl acetate bromide
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(3-ethanoylpyridin-1-ium-1-yl)oxan-2-yl]methyl ethanoate bromide
MOLECULAR FORMULA: C21H26BrNO10
MOLECULAR WEIGHT: 532.33584
SMILES: CC(=O)C1=C[N+](=CC=C1)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]
Structure:
CAS RN: 7151-90-8
CAS Name: 1-methyl-6-(methylthio)-3-pyridin-1-iumcarboxamide iodide
OPENEYE Name: 1-methyl-6-methylsulfanyl-pyridin-1-ium-3-carboxamide iodide
IUPAC Name: 1-methyl-6-methylsulfanylpyridin-1-ium-3-carboxamide iodide
SYSTEMATIC NAME: 1-methyl-6-methylsulfanyl-pyridin-1-ium-3-carboxamide iodide
MOLECULAR FORMULA: C8H11IN2OS
MOLECULAR WEIGHT: 310.15521
SMILES: C[N+]1=C(C=CC(=C1)C(=O)N)SC.[I-]
Structure:
CAS RN: 7149-21-5
CAS Name: N-[2-(6-chloro-9-purinyl)ethyl]acetamide hydrochloride
OPENEYE Name: N-[2-(6-chloropurin-9-yl)ethyl]acetamide hydrochloride
IUPAC Name: N-[2-(6-chloropurin-9-yl)ethyl]acetamide hydrochloride
SYSTEMATIC NAME: N-[2-(6-chloranylpurin-9-yl)ethyl]ethanamide hydrochloride
MOLECULAR FORMULA: C9H11Cl2N5O
MOLECULAR WEIGHT: 276.12254
SMILES: CC(=O)NCCN1C=NC2=C1N=CN=C2Cl.Cl
Structure:
CAS RN: 462-16-8
CAS Name: 18-fluoro-10-methyloctadecanoic acid; sodium
OPENEYE Name: 18-fluoro-10-methyl-octadecanoic acid; sodium
IUPAC Name: 18-fluoro-10-methyloctadecanoic acid; sodium
SYSTEMATIC NAME: 18-fluoranyl-10-methyl-octadecanoic acid; sodium
MOLECULAR FORMULA: C19H37FNaO2
MOLECULAR WEIGHT: 339.484053
SMILES: CC(CCCCCCCCC(=O)O)CCCCCCCCF.[Na]
Structure:
CAS RN: 7150-45-0
CAS Name: 2-[5-(2-hydroxyethylamino)pentylamino]ethanol hydrochloride
OPENEYE Name: 2-[5-(2-hydroxyethylamino)pentylamino]ethanol hydrochloride
IUPAC Name: 2-[5-(2-hydroxyethylamino)pentylamino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[5-(2-hydroxyethylamino)pentylamino]ethanol hydrochloride
MOLECULAR FORMULA: C9H23ClN2O2
MOLECULAR WEIGHT: 226.74412
SMILES: C(CCNCCO)CCNCCO.Cl
Structure:
CAS RN: 16280-50-5
CAS Name: 2-amino-6-methyl-7,8-dihydro-1H-pteridin-4-one chloride
OPENEYE Name: 2-amino-6-methyl-7,8-dihydro-1H-pteridin-4-one chloride
IUPAC Name: 2-amino-6-methyl-7,8-dihydro-1H-pteridin-4-one chloride
SYSTEMATIC NAME: 2-azanyl-6-methyl-7,8-dihydro-1H-pteridin-4-one chloride
MOLECULAR FORMULA: C7H9ClN5O-
MOLECULAR WEIGHT: 214.63226
SMILES: CC1=NC2=C(NC1)NC(=NC2=O)N.[Cl-]
Structure:
CAS RN: 52528-40-2
CAS Name: 6-(dimethylamino)-4-oxohexanoic acid hydrochloride
OPENEYE Name: 6-(dimethylamino)-4-oxo-hexanoic acid hydrochloride
IUPAC Name: 6-(dimethylamino)-4-oxohexanoic acid hydrochloride
SYSTEMATIC NAME: 6-(dimethylamino)-4-oxidanylidene-hexanoic acid hydrochloride
MOLECULAR FORMULA: C8H16ClNO3
MOLECULAR WEIGHT: 209.67054
SMILES: CN(C)CCC(=O)CCC(=O)O.Cl
Structure:
CAS RN: 10579-73-4
CAS Name: 1,4-bis(2-chloroethyl)-2,3-dihydroquinoxaline hydrochloride
OPENEYE Name: 1,4-bis(2-chloroethyl)-2,3-dihydroquinoxaline hydrochloride
IUPAC Name: 1,4-bis(2-chloroethyl)-2,3-dihydroquinoxaline hydrochloride
SYSTEMATIC NAME: 1,4-bis(2-chloroethyl)-2,3-dihydroquinoxaline hydrochloride
MOLECULAR FORMULA: C12H17Cl3N2
MOLECULAR WEIGHT: 295.63578
SMILES: C1CN(C2=CC=CC=C2N1CCCl)CCCl.Cl
Structure:
CAS RN: 29171-25-3
CAS Name: barium; benzene-1,3-disulfonic acid
OPENEYE Name: barium; benzene-1,3-disulfonic acid
IUPAC Name: barium; benzene-1,3-disulfonic acid
SYSTEMATIC NAME: barium; benzene-1,3-disulfonic acid
MOLECULAR FORMULA: C6H6BaO6S2
MOLECULAR WEIGHT: 375.56524
SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)O.[Ba]
Structure:
CAS RN: 19555-72-7
CAS Name: N,N-bis(2-chloroethyl)-2-(9-methyl-12-benzo[a]phenothiazinyl)ethanamine hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-2-(9-methylbenzo[a]phenothiazin-12-yl)ethanamine hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-2-(9-methylbenzo[a]phenothiazin-12-yl)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-(9-methylbenzo[a]phenothiazin-12-yl)ethanamine hydrochloride
MOLECULAR FORMULA: C23H25Cl3N2S
MOLECULAR WEIGHT: 467.882
SMILES: CC1=CC2=C(C=C1)N(C3=C(S2)C=CC4=CC=CC=C43)CCN(CCCl)CCCl.Cl
Structure:
CAS RN: 19555-74-9
CAS Name: N,N-bis(2-chloroethyl)-2-(10-methyl-12-benzo[a]phenothiazinyl)ethanamine hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-2-(10-methylbenzo[a]phenothiazin-12-yl)ethanamine hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-2-(10-methylbenzo[a]phenothiazin-12-yl)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-(10-methylbenzo[a]phenothiazin-12-yl)ethanamine hydrochloride
MOLECULAR FORMULA: C23H25Cl3N2S
MOLECULAR WEIGHT: 467.882
SMILES: CC1=CC2=C(C=C1)SC3=C(N2CCN(CCCl)CCCl)C4=CC=CC=C4C=C3.Cl
Structure:
CAS RN: 19555-71-6
CAS Name: N,N-bis(2-chloroethyl)-2-[2-(trifluoromethyl)-10-phenothiazinyl]ethanamine hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethanamine hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethanamine hydrochloride
MOLECULAR FORMULA: C19H20Cl3F3N2S
MOLECULAR WEIGHT: 471.79471
SMILES: C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCN(CCCl)CCCl.Cl
Structure:
CAS RN: 13078-14-3
CAS Name: 1-(4-methylphenyl)piperazine chloride
OPENEYE Name: 1-(p-tolyl)piperazine chloride
IUPAC Name: 1-(4-methylphenyl)piperazine chloride
SYSTEMATIC NAME: 1-(4-methylphenyl)piperazine chloride
MOLECULAR FORMULA: C11H16ClN2-
MOLECULAR WEIGHT: 211.71114
SMILES: CC1=CC=C(C=C1)N2CCNCC2.[Cl-]
Structure:
CAS RN: 13078-13-2
CAS Name: 1-(3-methylphenyl)piperazine chloride
OPENEYE Name: 1-(m-tolyl)piperazine chloride
IUPAC Name: 1-(3-methylphenyl)piperazine chloride
SYSTEMATIC NAME: 1-(3-methylphenyl)piperazine chloride
MOLECULAR FORMULA: C11H16ClN2-
MOLECULAR WEIGHT: 211.71114
SMILES: CC1=CC(=CC=C1)N2CCNCC2.[Cl-]
Structure:
CAS RN: 25843-65-6
CAS Name: N,N-bis(2-chloroethyl)-4-[(1-methyl-4-quinolin-1-iumyl)methylideneamino]aniline; methanesulfonate
OPENEYE Name: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-4-yl)methyleneamino]aniline; methanesulfonate
IUPAC Name: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-4-yl)methylideneamino]aniline; methanesulfonate
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-4-yl)methylideneamino]aniline; methanesulfonate
MOLECULAR FORMULA: C22H25Cl2N3O3S
MOLECULAR WEIGHT: 482.4232
SMILES: C[N+]1=CC=C(C2=CC=CC=C21)C=NC3=CC=C(C=C3)N(CCCl)CCCl.CS(=O)(=O)[O-]
Structure:
CAS RN: 2217-82-5
CAS Name: 4-phenylbenzenesulfonic acid; sodium
OPENEYE Name: 4-phenylbenzenesulfonic acid; sodium
IUPAC Name: 4-phenylbenzenesulfonic acid; sodium
SYSTEMATIC NAME: 4-phenylbenzenesulfonic acid; sodium
MOLECULAR FORMULA: C12H10NaO3S
MOLECULAR WEIGHT: 257.26077
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O.[Na]
Structure:
CAS RN: 4261-04-5
CAS Name: 1H-imidazo[4,5-b]pyridin-7-amine chloride
OPENEYE Name: 1H-imidazo[4,5-b]pyridin-7-amine chloride
IUPAC Name: 1H-imidazo[4,5-b]pyridin-7-amine chloride
SYSTEMATIC NAME: 1H-imidazo[4,5-b]pyridin-7-amine chloride
MOLECULAR FORMULA: C6H6ClN4-
MOLECULAR WEIGHT: 169.59164
SMILES: C1=CN=C2C(=C1N)NC=N2.[Cl-]
Structure:
CAS RN: 6953-49-7
CAS Name: acetic acid [3,4-diacetyloxy-5-(5-carbamoyl-2-methoxy-1-pyridin-1-iumyl)-2-oxolanyl]methyl ester chloride
OPENEYE Name: [3,4-diacetoxy-5-(5-carbamoyl-2-methoxy-pyridin-1-ium-1-yl)tetrahydrofuran-2-yl]methyl acetate chloride
IUPAC Name: [3,4-diacetyloxy-5-(5-carbamoyl-2-methoxypyridin-1-ium-1-yl)oxolan-2-yl]methyl acetate chloride
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(5-aminocarbonyl-2-methoxy-pyridin-1-ium-1-yl)oxolan-2-yl]methyl ethanoate chloride
MOLECULAR FORMULA: C18H23ClN2O9
MOLECULAR WEIGHT: 446.83622
SMILES: CC(=O)OCC1C(C(C(O1)[N+]2=C(C=CC(=C2)C(=O)N)OC)OC(=O)C)OC(=O)C.[Cl-]
Structure:

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http://ChemLookup.com Compounds



CAS RN: 25979-50-4
CAS Name: 3,5-bis[[oxo-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]methyl]amino]-N-propylbenzamide chloride
OPENEYE Name: N-propyl-3,5-bis[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]benzamide chloride
IUPAC Name: N-propyl-3,5-bis[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]benzamide chloride
SYSTEMATIC NAME: N-propyl-3,5-bis[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]benzamide chloride
MOLECULAR FORMULA: C32H37ClN9O3-
MOLECULAR WEIGHT: 631.14768
SMILES: CCCNC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCCN3)NC(=O)NC4=CC=C(C=C4)C5=NCCCN5.[Cl-]
Structure:
CAS RN: 5306-19-4
CAS Name: N1,N3-bis[4-(2-imidazolidinylidene)-3-oxo-1-cyclohexa-1,5-dienyl]benzene-1,3-dicarboxamide chloride
OPENEYE Name: N1,N3-bis(4-imidazolidin-2-ylidene-3-oxo-cyclohexa-1,5-dien-1-yl)benzene-1,3-dicarboxamide chloride
IUPAC Name: 1-N,3-N-bis(4-imidazolidin-2-ylidene-3-oxocyclohexa-1,5-dien-1-yl)benzene-1,3-dicarboxamide chloride
SYSTEMATIC NAME: N1,N3-bis(4-imidazolidin-2-ylidene-3-oxidanylidene-cyclohexa-1,5-dien-1-yl)benzene-1,3-dicarboxamide chloride
MOLECULAR FORMULA: C26H24ClN6O4-
MOLECULAR WEIGHT: 519.95956
SMILES: C1CNC(=C2C=CC(=CC2=O)NC(=O)C3=CC(=CC=C3)C(=O)NC4=CC(=O)C(=C5NCCN5)C=C4)N1.[Cl-]
Structure:
CAS RN: 2429-83-6
CAS Name: 4-amino-3-[4-[4-(2,4-diamino-5-methylphenyl)azophenyl]phenyl]azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid; sodium
OPENEYE Name: 4-amino-3-[4-[4-(2,4-diamino-5-methyl-phenyl)azophenyl]phenyl]azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonic acid; sodium
IUPAC Name: 4-amino-3-[[4-[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid; sodium
SYSTEMATIC NAME: 4-azanyl-3-[[4-[4-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]phenyl]phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid; sodium
MOLECULAR FORMULA: C35H29N9NaO7S2
MOLECULAR WEIGHT: 774.78063
SMILES: CC1=CC(=C(C=C1N)N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=C5C=C(C(=NNC6=CC=CC=C6)C(=O)C5=C4N)S(=O)(=O)O)S(=O)(=O)O.[Na]
Structure:
CAS RN: 2668-05-5
CAS Name: 4-amino-6-(1-naphthalenylhydrazinylidene)-5-oxo-3-(4-sulfophenyl)azo-1-naphthalenesulfonic acid; sodium
OPENEYE Name: 4-amino-6-(1-naphthylhydrazono)-5-oxo-3-(4-sulfophenyl)azo-naphthalene-1-sulfonic acid; sodium
IUPAC Name: 4-amino-6-(naphthalen-1-ylhydrazinylidene)-5-oxo-3-[(4-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid; sodium
SYSTEMATIC NAME: 4-azanyl-6-(naphthalen-1-ylhydrazinylidene)-5-oxidanylidene-3-[(4-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid; sodium
MOLECULAR FORMULA: C26H19N5NaO7S2
MOLECULAR WEIGHT: 600.57813
SMILES: C1=CC=C2C(=C1)C=CC=C2NN=C3C=CC4=C(C=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O.[Na]
Structure:
CAS RN: 3618-58-4
CAS Name: 4-[(2-hydroxy-1-naphthalenyl)hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonic acid; sodium
OPENEYE Name: 4-[(2-hydroxy-1-naphthyl)hydrazono]-7-nitro-3-oxo-naphthalene-1-sulfonic acid; sodium
IUPAC Name: 4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid; sodium
SYSTEMATIC NAME: 7-nitro-3-oxidanylidene-4-[(2-oxidanylnaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonic acid; sodium
MOLECULAR FORMULA: C20H13N3NaO7S
MOLECULAR WEIGHT: 462.38789
SMILES: C1=CC=C2C(=C1)C=CC(=C2NN=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=CC3=O)S(=O)(=O)O)O.[Na]
Structure:
CAS RN: 5858-71-9
CAS Name: 7-[(2-methoxy-5-methylphenyl)hydrazinylidene]-8-oxonaphthalene-1,6-disulfonic acid; sodium
OPENEYE Name: 7-[(2-methoxy-5-methyl-phenyl)hydrazono]-8-oxo-naphthalene-1,6-disulfonic acid; sodium
IUPAC Name: 7-[(2-methoxy-5-methylphenyl)hydrazinylidene]-8-oxonaphthalene-1,6-disulfonic acid; sodium
SYSTEMATIC NAME: 7-[(2-methoxy-5-methyl-phenyl)hydrazinylidene]-8-oxidanylidene-naphthalene-1,6-disulfonic acid; sodium
MOLECULAR FORMULA: C18H16N2NaO8S2
MOLECULAR WEIGHT: 475.44801
SMILES: CC1=CC(=C(C=C1)OC)NN=C2C(=CC3=C(C2=O)C(=CC=C3)S(=O)(=O)O)S(=O)(=O)O.[Na]
Structure:
CAS RN: 6599-09-3
CAS Name: 2-phenyl-2-[1-(phenylmethyl)-4-piperidinylidene]acetonitrile chloride
OPENEYE Name: 2-(1-benzyl-4-piperidylidene)-2-phenyl-acetonitrile chloride
IUPAC Name: 2-(1-benzylpiperidin-4-ylidene)-2-phenylacetonitrile chloride
SYSTEMATIC NAME: 2-phenyl-2-[1-(phenylmethyl)piperidin-4-ylidene]ethanenitrile chloride
MOLECULAR FORMULA: C20H20ClN2-
MOLECULAR WEIGHT: 323.8392
SMILES: C1CN(CCC1=C(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 52055-23-9
CAS Name: 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine chloride
OPENEYE Name: 2-(5-benzyloxy-1H-indol-3-yl)ethanamine chloride
IUPAC Name: 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine chloride
SYSTEMATIC NAME: 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine chloride
MOLECULAR FORMULA: C17H18ClN2O-
MOLECULAR WEIGHT: 301.79062
SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN.[Cl-]
Structure:
CAS RN: 7357-46-2
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[3-(ethylcarbamoyl)-1-pyridin-1-iumyl]-2-oxanyl]methyl ester bromide
OPENEYE Name: [3,4,5-triacetoxy-6-[3-(ethylcarbamoyl)pyridin-1-ium-1-yl]tetrahydropyran-2-yl]methyl acetate bromide
IUPAC Name: [3,4,5-triacetyloxy-6-[3-(ethylcarbamoyl)pyridin-1-ium-1-yl]oxan-2-yl]methyl acetate bromide
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[3-(ethylcarbamoyl)pyridin-1-ium-1-yl]oxan-2-yl]methyl ethanoate bromide
MOLECULAR FORMULA: C22H29BrN2O10
MOLECULAR WEIGHT: 561.37706
SMILES: CCNC(=O)C1=C[N+](=CC=C1)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]
Structure:
CAS RN: 7401-75-4
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(3-carbamothioyl-1-pyridin-1-iumyl)-2-oxanyl]methyl ester bromide
OPENEYE Name: [3,4,5-triacetoxy-6-(3-carbamothioylpyridin-1-ium-1-yl)tetrahydropyran-2-yl]methyl acetate bromide
IUPAC Name: [3,4,5-triacetyloxy-6-(3-carbamothioylpyridin-1-ium-1-yl)oxan-2-yl]methyl acetate bromide
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(3-carbamothioylpyridin-1-ium-1-yl)oxan-2-yl]methyl ethanoate bromide
MOLECULAR FORMULA: C20H25BrN2O9S
MOLECULAR WEIGHT: 549.3895
SMILES: CC(=O)OCC1C(C(C(C(O1)[N+]2=CC=CC(=C2)C(=S)N)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]
Structure:
CAS RN: 88826-30-6
CAS Name: N,N-dimethyl-3-(3-methyl-9-azaspiro[5.5]undecan-9-yl)-1-propanamine chloride
OPENEYE Name: N,N-dimethyl-3-(3-methyl-9-azaspiro[5.5]undecan-9-yl)propan-1-amine chloride
IUPAC Name: N,N-dimethyl-3-(3-methyl-9-azaspiro[5.5]undecan-9-yl)propan-1-amine chloride
SYSTEMATIC NAME: N,N-dimethyl-3-(3-methyl-9-azaspiro[5.5]undecan-9-yl)propan-1-amine chloride
MOLECULAR FORMULA: C16H32ClN2-
MOLECULAR WEIGHT: 287.89168
SMILES: CC1CCC2(CC1)CCN(CC2)CCCN(C)C.[Cl-]
Structure:
CAS RN: 1026-47-7
CAS Name: 4-oxo-1-phenyl-3-piperidinecarboxylic acid ethyl ester chloride
OPENEYE Name: ethyl 4-oxo-1-phenyl-piperidine-3-carboxylate chloride
IUPAC Name: ethyl 4-oxo-1-phenylpiperidine-3-carboxylate chloride
SYSTEMATIC NAME: ethyl 4-oxidanylidene-1-phenyl-piperidine-3-carboxylate chloride
MOLECULAR FORMULA: C14H17ClNO3-
MOLECULAR WEIGHT: 282.74268
SMILES: CCOC(=O)C1CN(CCC1=O)C2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 50733-94-3
CAS Name: 1-propylpiperazine chloride
OPENEYE Name: 1-propylpiperazine chloride
IUPAC Name: 1-propylpiperazine chloride
SYSTEMATIC NAME: 1-propylpiperazine chloride
MOLECULAR FORMULA: C7H16ClN2-
MOLECULAR WEIGHT: 163.66834
SMILES: CCCN1CCNCC1.[Cl-]
Structure:
CAS RN: 2576-29-6
CAS Name: 2-(2-chloroethylamino)ethanol hydrochloride
OPENEYE Name: 2-(2-chloroethylamino)ethanol hydrochloride
IUPAC Name: 2-(2-chloroethylamino)ethanol hydrochloride
SYSTEMATIC NAME: 2-(2-chloroethylamino)ethanol hydrochloride
MOLECULAR FORMULA: C4H11Cl2NO
MOLECULAR WEIGHT: 160.04224
SMILES: C(CO)NCCCl.Cl
Structure:
CAS RN: 1813-14-5
CAS Name: 2-fluoro-N-(2-fluoroethyl)ethanamine hydrobromide
OPENEYE Name: 2-fluoro-N-(2-fluoroethyl)ethanamine hydrobromide
IUPAC Name: 2-fluoro-N-(2-fluoroethyl)ethanamine hydrobromide
SYSTEMATIC NAME: 2-fluoranyl-N-(2-fluoranylethyl)ethanamine hydrobromide
MOLECULAR FORMULA: C4H10BrF2N
MOLECULAR WEIGHT: 190.029706
SMILES: C(CF)NCCF.Br
Structure:
CAS RN: 41047-88-5
CAS Name: 2-[formyl(hydroxy)amino]acetic acid; potassium
OPENEYE Name: 2-[formyl(hydroxy)amino]acetic acid; potassium
IUPAC Name: 2-[formyl(hydroxy)amino]acetic acid; potassium
SYSTEMATIC NAME: 2-[methanoyl(oxidanyl)amino]ethanoic acid; potassium
MOLECULAR FORMULA: C3H5KNO4
MOLECULAR WEIGHT: 158.1744
SMILES: C(C(=O)O)N(C=O)O.[K]
Structure:
CAS RN: 17812-44-1
CAS Name: 8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-ol chloride
OPENEYE Name: 8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride
IUPAC Name: 8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride
SYSTEMATIC NAME: 8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-ol chloride
MOLECULAR FORMULA: C15H22ClNO
MOLECULAR WEIGHT: 267.79428
SMILES: C[N+]1(C2CCC1CC(C2)O)CC3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 7254-00-4
CAS Name: 4-amino-N-cyclohexyl-1H-imidazole-5-carboxamide chloride
OPENEYE Name: 4-amino-N-cyclohexyl-1H-imidazole-5-carboxamide chloride
IUPAC Name: 4-amino-N-cyclohexyl-1H-imidazole-5-carboxamide chloride
SYSTEMATIC NAME: 4-azanyl-N-cyclohexyl-1H-imidazole-5-carboxamide chloride
MOLECULAR FORMULA: C10H16ClN4O-
MOLECULAR WEIGHT: 243.71324
SMILES: C1CCC(CC1)NC(=O)C2=C(N=CN2)N.[Cl-]
Structure:
CAS RN: 25979-49-1
CAS Name: 1-[4-[[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]phenyl]-3-[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea chloride
IUPAC Name: 1-[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea chloride
SYSTEMATIC NAME: 1-[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea chloride
MOLECULAR FORMULA: C28H30ClN8O2-
MOLECULAR WEIGHT: 546.0432
SMILES: CC1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C5=NCC(N5)C.[Cl-]
Structure:
CAS RN: 25787-13-7
CAS Name: 3-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide chloride
OPENEYE Name: N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide chloride
IUPAC Name: N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide chloride
SYSTEMATIC NAME: N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide chloride
MOLECULAR FORMULA: C26H25ClN7O2-
MOLECULAR WEIGHT: 502.9754
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5.[Cl-]
Structure:
CAS RN: 25787-11-5
CAS Name: 1-[3-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-4-methoxyphenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-4-methoxy-phenyl]urea chloride
IUPAC Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-4-methoxyphenyl]urea chloride
SYSTEMATIC NAME: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-4-methoxy-phenyl]urea chloride
MOLECULAR FORMULA: C27H28ClN8O3-
MOLECULAR WEIGHT: 548.01602
SMILES: COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCN3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5.[Cl-]
Structure:
CAS RN: 25787-10-4
CAS Name: 2,4-bis[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-N-methylbenzamide hydrochloride
OPENEYE Name: 2,4-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-methyl-benzamide hydrochloride
IUPAC Name: 2,4-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-methylbenzamide hydrochloride
SYSTEMATIC NAME: 2,4-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-methyl-benzamide hydrochloride
MOLECULAR FORMULA: C28H30ClN9O3
MOLECULAR WEIGHT: 576.0493
SMILES: CNC(=O)C1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCN3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl
Structure:
CAS RN: 25787-09-1
CAS Name: N-butyl-3,5-bis[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]benzamide hydrochloride
OPENEYE Name: N-butyl-3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide hydrochloride
IUPAC Name: N-butyl-3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide hydrochloride
MOLECULAR FORMULA: C31H36ClN9O3
MOLECULAR WEIGHT: 618.12904
SMILES: CCCCNC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCN3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl
Structure:
CAS RN: 25979-48-0
CAS Name: 3,5-bis[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-N-propylbenzamide chloride
OPENEYE Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-propyl-benzamide chloride
IUPAC Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-propylbenzamide chloride
SYSTEMATIC NAME: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-propyl-benzamide chloride
MOLECULAR FORMULA: C30H33ClN9O3-
MOLECULAR WEIGHT: 603.09452
SMILES: CCCNC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCN3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5.[Cl-]
Structure:
CAS RN: 25787-08-0
CAS Name: 3,5-bis[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-N,N-diethylbenzamide hydrochloride
OPENEYE Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N,N-diethyl-benzamide hydrochloride
IUPAC Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N,N-diethylbenzamide hydrochloride
SYSTEMATIC NAME: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N,N-diethyl-benzamide hydrochloride
MOLECULAR FORMULA: C31H36ClN9O3
MOLECULAR WEIGHT: 618.12904
SMILES: CCN(CC)C(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCN3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl
Structure:
CAS RN: 25979-47-9
CAS Name: 3,5-bis[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-N-ethylbenzamide chloride
OPENEYE Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-ethyl-benzamide chloride
IUPAC Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-ethylbenzamide chloride
SYSTEMATIC NAME: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-ethyl-benzamide chloride
MOLECULAR FORMULA: C29H31ClN9O3-
MOLECULAR WEIGHT: 589.06794
SMILES: CCNC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCN3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5.[Cl-]
Structure:
CAS RN: 7150-78-9
CAS Name: N,N,1,6,7-pentamethyl-4-pteridin-1-iumamine iodide
OPENEYE Name: N,N,1,6,7-pentamethylpteridin-1-ium-4-amine iodide
IUPAC Name: N,N,1,6,7-pentamethylpteridin-1-ium-4-amine iodide
SYSTEMATIC NAME: N,N,1,6,7-pentamethylpteridin-1-ium-4-amine iodide
MOLECULAR FORMULA: C11H16IN5
MOLECULAR WEIGHT: 345.18271
SMILES: CC1=NC2=C(N=C[N+](=C2N=C1C)C)N(C)C.[I-]
Structure:
CAS RN: 7150-77-8
CAS Name: N,1,6,7-tetramethyl-4-pteridinimine chloride
OPENEYE Name: N,1,6,7-tetramethylpteridin-4-imine chloride
IUPAC Name: N,1,6,7-tetramethylpteridin-4-imine chloride
SYSTEMATIC NAME: N,1,6,7-tetramethylpteridin-4-imine chloride
MOLECULAR FORMULA: C10H13ClN5-
MOLECULAR WEIGHT: 238.69672
SMILES: CC1=NC2=C(N=C1C)N(C=NC2=NC)C.[Cl-]
Structure:
CAS RN: 82118-25-0
CAS Name: carbamimidothioic acid (5-nitro-2-furanyl)methyl ester chloride
OPENEYE Name: 2-[(5-nitro-2-furyl)methyl]isothiourea chloride
IUPAC Name: (5-nitrofuran-2-yl)methyl carbamimidothioate chloride
SYSTEMATIC NAME: (5-nitrofuran-2-yl)methyl carbamimidothioate chloride
MOLECULAR FORMULA: C6H7ClN3O3S-
MOLECULAR WEIGHT: 236.65608
SMILES: C1=C(OC(=C1)[N+](=O)[O-])CSC(=N)N.[Cl-]
Structure:
CAS RN: 7357-25-7
CAS Name: 3-[2-(4-methoxyphenyl)ethyl]-5-oxadiazol-3-iumolate
OPENEYE Name: 3-[2-(4-methoxyphenyl)ethyl]oxadiazol-3-ium-5-olate
IUPAC Name: 3-[2-(4-methoxyphenyl)ethyl]oxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-[2-(4-methoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: COC1=CC=C(C=C1)CC[N+]2=NOC(=C2)[O-]
Structure:
CAS RN: 7465-40-9
CAS Name: 3-[2-(4-methylphenyl)ethyl]-5-oxadiazol-3-iumolate
OPENEYE Name: 3-[2-(p-tolyl)ethyl]oxadiazol-3-ium-5-olate
IUPAC Name: 3-[2-(4-methylphenyl)ethyl]oxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-[2-(4-methylphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CC1=CC=C(C=C1)CC[N+]2=NOC(=C2)[O-]
Structure:
CAS RN: 7150-66-5
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[3-[diethylamino(oxo)methyl]-1-pyridin-1-iumyl]-2-oxanyl]methyl ester bromide
OPENEYE Name: [3,4,5-triacetoxy-6-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]tetrahydropyran-2-yl]methyl acetate bromide
IUPAC Name: [3,4,5-triacetyloxy-6-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]oxan-2-yl]methyl acetate bromide
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]oxan-2-yl]methyl ethanoate bromide
MOLECULAR FORMULA: C24H33BrN2O10
MOLECULAR WEIGHT: 589.43022
SMILES: CCN(CC)C(=O)C1=C[N+](=CC=C1)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]
Structure:
CAS RN: 4337-99-9
CAS Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxadiazol-3-iumolate
OPENEYE Name: 3-[(4-ethoxy-3-methoxy-phenyl)methyl]oxadiazol-3-ium-5-olate
IUPAC Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl]oxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-[(4-ethoxy-3-methoxy-phenyl)methyl]-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: CCOC1=C(C=C(C=C1)C[N+]2=NOC(=C2)[O-])OC
Structure:
CAS RN: 7150-65-4
CAS Name: 9-(2-aminoethyl)-3H-purine-6-thione chloride
OPENEYE Name: 9-(2-aminoethyl)-3H-purine-6-thione chloride
IUPAC Name: 9-(2-aminoethyl)-3H-purine-6-thione chloride
SYSTEMATIC NAME: 9-(2-azanylethyl)-3H-purine-6-thione chloride
MOLECULAR FORMULA: C7H9ClN5S-
MOLECULAR WEIGHT: 230.69786
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)CCN.[Cl-]
Structure:
CAS RN: 93354-59-7
CAS Name: 3,4-dimethoxybenzoic acid 2-(2-chloroethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(2-chloroethylamino)ethyl 3,4-dimethoxybenzoate hydrochloride
IUPAC Name: 2-(2-chloroethylamino)ethyl 3,4-dimethoxybenzoate hydrochloride
SYSTEMATIC NAME: 2-(2-chloroethylamino)ethyl 3,4-dimethoxybenzoate hydrochloride
MOLECULAR FORMULA: C13H19Cl2NO4
MOLECULAR WEIGHT: 324.20026
SMILES: COC1=C(C=C(C=C1)C(=O)OCCNCCCl)OC.Cl
Structure:
CAS RN: 1645-07-4
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine hydrochloride
OPENEYE Name: 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine hydrochloride
IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine hydrochloride
MOLECULAR FORMULA: C11H15Cl3FN
MOLECULAR WEIGHT: 286.600903
SMILES: C1=CC(=CC=C1CN(CCCl)CCCl)F.Cl
Structure:
CAS RN: 1643-87-4
CAS Name: N,N-bis(2-chloroethyl)-2-(4-fluorophenyl)ethanamine hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-2-(4-fluorophenyl)ethanamine hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-2-(4-fluorophenyl)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-(4-fluorophenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C12H17Cl3FN
MOLECULAR WEIGHT: 300.627483
SMILES: C1=CC(=CC=C1CCN(CCCl)CCCl)F.Cl
Structure:
CAS RN: 87580-96-9
CAS Name: N'-prop-2-enylcarbamimidothioic acid (phenylmethyl) ester chloride
OPENEYE Name: 3-allyl-2-benzyl-isothiourea chloride
IUPAC Name: benzyl N'-prop-2-enylcarbamimidothioate chloride
SYSTEMATIC NAME: (phenylmethyl) N'-prop-2-enylcarbamimidothioate chloride
MOLECULAR FORMULA: C11H14ClN2S-
MOLECULAR WEIGHT: 241.76026
SMILES: C=CCN=C(N)SCC1=CC=CC=C1.[Cl-]
Structure:

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