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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