CAS RN: 52320-92-0
CAS Name: N-ethyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide hydrochloride
OPENEYE Name: N-ethyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide hydrochloride
IUPAC Name: N-ethyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide hydrochloride
SYSTEMATIC NAME: N-ethyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide hydrochloride
MOLECULAR FORMULA: C10H20ClN3O
MOLECULAR WEIGHT: 233.7383
SMILES: CCNC(=O)N1CC2CCC(C1)N2C.Cl
Structure:
CAS RN: 52320-91-9
CAS Name: 8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate hydrochloride
IUPAC Name: ethyl 8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate hydrochloride
MOLECULAR FORMULA: C10H19ClN2O2
MOLECULAR WEIGHT: 234.72306
SMILES: CCOC(=O)N1CC2CCC(C1)N2C.Cl
Structure:
CAS RN: 37707-92-9
CAS Name: 8,9-dimethoxy-3,4-dihydrobenzo[h]isoquinoline hydrochloride
OPENEYE Name: 8,9-dimethoxy-3,4-dihydrobenzo[h]isoquinoline hydrochloride
IUPAC Name: 8,9-dimethoxy-3,4-dihydrobenzo[h]isoquinoline hydrochloride
SYSTEMATIC NAME: 8,9-dimethoxy-3,4-dihydrobenzo[h]isoquinoline hydrochloride
MOLECULAR FORMULA: C15H16ClNO2
MOLECULAR WEIGHT: 277.74604
SMILES: COC1=C(C=C2C(=C1)C=CC3=C2C=NCC3)OC.Cl
Structure:
CAS RN: 51934-25-9
CAS Name: 4-[(7-amino-5-oxo-8H-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 4-[(7-amino-5-oxo-8H-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate hydrochloride
IUPAC Name: ethyl 4-[(7-amino-5-oxo-8H-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate hydrochloride
SYSTEMATIC NAME: ethyl 4-[(7-azanyl-5-oxidanylidene-8H-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate hydrochloride
MOLECULAR FORMULA: C15H16ClN7O3
MOLECULAR WEIGHT: 377.78564
SMILES: CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=C(NC(=NC3=O)N)N=N2.Cl
Structure:
CAS RN: 38709-78-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H20N2O2S
MOLECULAR WEIGHT: 268.3751
SMILES: CCN(CC)[S+](=O)(C)C=C(NC1=CC=CC=C1)[O-]
Structure:
CAS RN: 38709-81-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H13NO2S
MOLECULAR WEIGHT: 163.23792
SMILES: CC(=C[S+](=O)(C)N(C)C)[O-]
Structure:
CAS RN: 38709-82-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H14ClNO2S
MOLECULAR WEIGHT: 259.75236
SMILES: CN(C)[S+](=O)(C)C=C(C1=CC=C(C=C1)Cl)[O-]
Structure:
CAS RN: 38709-77-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H19NO2S
MOLECULAR WEIGHT: 253.36046
SMILES: CCN(CC)[S+](=O)(C)C=C(C1=CC=CC=C1)[O-]
Structure:
CAS RN: 38709-87-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C5H13NO3S2
MOLECULAR WEIGHT: 199.29162
SMILES: CN(C)[S+](=O)(C)[CH-]S(=O)(=O)C
Structure:
CAS RN: 38709-84-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H10F3NO2S
MOLECULAR WEIGHT: 217.20931
SMILES: CN(C)[S+](=O)(C)C=C(C(F)(F)F)[O-]
Structure:
CAS RN: 38709-83-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H14N2O4S
MOLECULAR WEIGHT: 270.30486
SMILES: CN(C)[S+](=O)(C)C=C(C1=CC=C(C=C1)[N+](=O)[O-])[O-]
Structure:
CAS RN: 38709-79-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H15NO2S
MOLECULAR WEIGHT: 225.3073
SMILES: CN(C)[S+](=O)(C)C=C(C1=CC=CC=C1)[O-]
Structure:
CAS RN: 38709-80-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H16N2O2S
MOLECULAR WEIGHT: 240.32194
SMILES: CN(C)[S+](=O)(C)C=C(NC1=CC=CC=C1)[O-]
Structure:
CAS RN: 58332-45-9
CAS Name: 2,3,4-trimethylthiazol-3-ium perchlorate
OPENEYE Name: 2,3,4-trimethylthiazol-3-ium perchlorate
IUPAC Name: 2,3,4-trimethyl-1,3-thiazol-3-ium perchlorate
SYSTEMATIC NAME: 2,3,4-trimethyl-1,3-thiazol-3-ium perchlorate
MOLECULAR FORMULA: C6H10ClNO4S
MOLECULAR WEIGHT: 227.6659
SMILES: CC1=CSC(=[N+]1C)C.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 940-79-4
CAS Name: 4-tert-butylthiane; dichloromercury
OPENEYE Name: 4-tert-butyltetrahydrothiopyran; dichloromercury
IUPAC Name: 4-tert-butylthiane; dichloromercury
SYSTEMATIC NAME: bis(chloranyl)mercury; 4-tert-butylthiane
MOLECULAR FORMULA: C9H18Cl2HgS
MOLECULAR WEIGHT: 429.80022
SMILES: CC(C)(C)C1CCSCC1.Cl[Hg]Cl
Structure:
CAS RN: 33037-96-6
CAS Name: 2-[4-[1H-indol-2-yl(oxo)methyl]-1-pyridin-1-iumyl]acetic acid ethyl ester bromide
OPENEYE Name: ethyl 2-[4-(1H-indole-2-carbonyl)pyridin-1-ium-1-yl]acetate bromide
IUPAC Name: ethyl 2-[4-(1H-indole-2-carbonyl)pyridin-1-ium-1-yl]acetate bromide
SYSTEMATIC NAME: ethyl 2-[4-(1H-indol-2-ylcarbonyl)pyridin-1-ium-1-yl]ethanoate bromide
MOLECULAR FORMULA: C18H17BrN2O3
MOLECULAR WEIGHT: 389.24318
SMILES: CCOC(=O)C[N+]1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3N2.[Br-]
Structure:
CAS RN: 28375-03-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H17ClN2O2
MOLECULAR WEIGHT: 304.77138
SMILES: CC1=CC2(C(CC3=CNC4=CC=CC2=C34)NC)OC1=O.Cl
Structure:
CAS RN: 28510-15-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H17ClN2O2
MOLECULAR WEIGHT: 304.77138
SMILES: CC1=CC2(C(CC3=CNC4=CC=CC2=C34)NC)OC1=O.Cl
Structure:
CAS RN: 28662-58-0
CAS Name: 1-(6-chloro-8-quinolinyl)-2-(dibutylamino)ethanol hydrochloride
OPENEYE Name: 1-(6-chloro-8-quinolyl)-2-(dibutylamino)ethanol hydrochloride
IUPAC Name: 1-(6-chloroquinolin-8-yl)-2-(dibutylamino)ethanol hydrochloride
SYSTEMATIC NAME: 1-(6-chloranylquinolin-8-yl)-2-(dibutylamino)ethanol hydrochloride
MOLECULAR FORMULA: C19H28Cl2N2O
MOLECULAR WEIGHT: 371.34442
SMILES: CCCCN(CCCC)CC(C1=C2C(=CC(=C1)Cl)C=CC=N2)O.Cl
Structure:
CAS RN: 457-35-2
CAS Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-dimethylammonium chloride
OPENEYE Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl]-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl]-dimethyl-ammonium chloride
IUPAC Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-dimethyl-azanium chloride
MOLECULAR FORMULA: C21H18Cl2F9N3O2
MOLECULAR WEIGHT: 586.278149
SMILES: C[N+](C)(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Cl-]
Structure:
CAS RN: 24940-70-3
CAS Name: 1-(9-chloro-1-phenanthrenyl)-2-(dihexylamino)ethanol hydrochloride
OPENEYE Name: 1-(9-chloro-1-phenanthryl)-2-(dihexylamino)ethanol hydrochloride
IUPAC Name: 1-(9-chlorophenanthren-1-yl)-2-(dihexylamino)ethanol hydrochloride
SYSTEMATIC NAME: 1-(9-chloranylphenanthren-1-yl)-2-(dihexylamino)ethanol hydrochloride
MOLECULAR FORMULA: C28H39Cl2NO
MOLECULAR WEIGHT: 476.52136
SMILES: CCCCCCN(CCCCCC)CC(C1=CC=CC2=C1C=C(C3=CC=CC=C23)Cl)O.Cl
Structure:
CAS RN: 76004-90-5
CAS Name: 6-chloro-N2-(3,5-dichlorophenyl)-N4-(1-ethyl-3-piperidinyl)quinazoline-2,4-diamine hydrochloride
OPENEYE Name: 6-chloro-N2-(3,5-dichlorophenyl)-N4-(1-ethyl-3-piperidyl)quinazoline-2,4-diamine hydrochloride
IUPAC Name: 6-chloro-2-N-(3,5-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine hydrochloride
SYSTEMATIC NAME: N2-[3,5-bis(chloranyl)phenyl]-6-chloranyl-N4-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine hydrochloride
MOLECULAR FORMULA: C21H23Cl4N5
MOLECULAR WEIGHT: 487.25282
SMILES: CCN1CCCC(C1)NC2=NC(=NC3=C2C=C(C=C3)Cl)NC4=CC(=CC(=C4)Cl)Cl.Cl
Structure:
CAS RN: 22820-78-6
CAS Name: 3-[cyclohexyl-[2-hydroxy-2-(9-phenanthrenyl)ethyl]amino]propanenitrile chloride
OPENEYE Name: 3-[cyclohexyl-[2-hydroxy-2-(9-phenanthryl)ethyl]amino]propanenitrile chloride
IUPAC Name: 3-[cyclohexyl-(2-hydroxy-2-phenanthren-9-ylethyl)amino]propanenitrile chloride
SYSTEMATIC NAME: 3-[cyclohexyl-(2-oxidanyl-2-phenanthren-9-yl-ethyl)amino]propanenitrile chloride
MOLECULAR FORMULA: C25H28ClN2O-
MOLECULAR WEIGHT: 407.95562
SMILES: C1CCC(CC1)N(CCC#N)CC(C2=CC3=CC=CC=C3C4=CC=CC=C42)O.[Cl-]
Structure:
CAS RN: 458-12-8
CAS Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-[2-(3,4-dichlorophenyl)-2-oxoethyl]-dimethylammonium chloride
OPENEYE Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl]-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]-dimethyl-ammonium chloride
IUPAC Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-[2-(3,4-dichlorophenyl)-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]-dimethyl-azanium chloride
MOLECULAR FORMULA: C19H17Cl4F3N2O2
MOLECULAR WEIGHT: 504.15769
SMILES: C[N+](C)(CC(=O)C1=CC(=C(C=C1)Cl)Cl)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F.[Cl-]
Structure:
CAS RN: 453-48-5
CAS Name: (4-chlorophenyl)methyl-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-dimethylammonium chloride
OPENEYE Name: (4-chlorophenyl)methyl-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl]-dimethyl-ammonium chloride
IUPAC Name: (4-chlorophenyl)methyl-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-[(4-chlorophenyl)methyl]-dimethyl-azanium chloride
MOLECULAR FORMULA: C18H18Cl3F3N2O
MOLECULAR WEIGHT: 441.70253
SMILES: C[N+](C)(CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F.[Cl-]
Structure:
CAS RN: 444-61-1
CAS Name: sodium 4-chloro-5-(4-chlorophenoxy)-2-[[[2-chloro-5-(trifluoromethyl)anilino]-oxomethyl]amino]benzenesulfonic acid
OPENEYE Name: sodium 4-chloro-5-(4-chlorophenoxy)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid
IUPAC Name: sodium 4-chloro-5-(4-chlorophenoxy)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid
SYSTEMATIC NAME: sodium 4-chloranyl-5-(4-chloranylphenoxy)-2-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid
MOLECULAR FORMULA: C20H12Cl3F3N2NaO5S+
MOLECULAR WEIGHT: 578.72866
SMILES: C1=CC(=CC=C1OC2=C(C=C(C(=C2)S(=O)(=O)O)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)Cl)Cl.[Na+]
Structure:
CAS RN: 447-96-1
CAS Name: sodium 5-(4-chlorophenoxy)-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]benzenesulfonic acid
OPENEYE Name: sodium 5-(4-chlorophenoxy)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid
IUPAC Name: sodium 5-(4-chlorophenoxy)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid
SYSTEMATIC NAME: sodium 5-(4-chloranylphenoxy)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid
MOLECULAR FORMULA: C20H14ClF3N2NaO5S+
MOLECULAR WEIGHT: 509.83854
SMILES: C1=CC(=CC(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)S(=O)(=O)O)C(F)(F)F.[Na+]
Structure:
CAS RN: 364-02-3
CAS Name: sodium 5-chloro-2-[[[2-chloro-5-(trifluoromethyl)anilino]-oxomethyl]amino]-4-(trifluoromethyl)benzenesulfonic acid
OPENEYE Name: sodium 5-chloro-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-4-(trifluoromethyl)benzenesulfonic acid
IUPAC Name: sodium 5-chloro-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-4-(trifluoromethyl)benzenesulfonic acid
SYSTEMATIC NAME: sodium 5-chloranyl-2-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-4-(trifluoromethyl)benzenesulfonic acid
MOLECULAR FORMULA: C15H8Cl2F6N2NaO4S+
MOLECULAR WEIGHT: 520.186209
SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=C(C(=C2)C(F)(F)F)Cl)S(=O)(=O)O)Cl.[Na+]
Structure:
CAS RN: 31602-04-7
CAS Name: 2-(dibutylamino)-1-(4,6,8-trichloro-3-quinolinyl)ethanol hydrochloride
OPENEYE Name: 2-(dibutylamino)-1-(4,6,8-trichloro-3-quinolyl)ethanol hydrochloride
IUPAC Name: 2-(dibutylamino)-1-(4,6,8-trichloroquinolin-3-yl)ethanol hydrochloride
SYSTEMATIC NAME: 2-(dibutylamino)-1-[4,6,8-tris(chloranyl)quinolin-3-yl]ethanol hydrochloride
MOLECULAR FORMULA: C19H26Cl4N2O
MOLECULAR WEIGHT: 440.23454
SMILES: CCCCN(CCCC)CC(C1=C(C2=CC(=CC(=C2N=C1)Cl)Cl)Cl)O.Cl
Structure:
CAS RN: 54970-72-8
CAS Name: sodium 3,5-dichloro-2-hydroxybenzenesulfonic acid
OPENEYE Name: sodium 3,5-dichloro-2-hydroxy-benzenesulfonic acid
IUPAC Name: sodium 3,5-dichloro-2-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: sodium 3,5-bis(chloranyl)-2-oxidanyl-benzenesulfonic acid
MOLECULAR FORMULA: C6H4Cl2NaO4S+
MOLECULAR WEIGHT: 266.05433
SMILES: C1=C(C=C(C(=C1Cl)O)S(=O)(=O)O)Cl.[Na+]
Structure:
CAS RN: 76004-91-6
CAS Name: 7-chloro-N2-(3,5-dichlorophenyl)-N4-(1-ethyl-3-piperidinyl)quinazoline-2,4-diamine hydrochloride
OPENEYE Name: 7-chloro-N2-(3,5-dichlorophenyl)-N4-(1-ethyl-3-piperidyl)quinazoline-2,4-diamine hydrochloride
IUPAC Name: 7-chloro-2-N-(3,5-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine hydrochloride
SYSTEMATIC NAME: N2-[3,5-bis(chloranyl)phenyl]-7-chloranyl-N4-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine hydrochloride
MOLECULAR FORMULA: C21H23Cl4N5
MOLECULAR WEIGHT: 487.25282
SMILES: CCN1CCCC(C1)NC2=NC(=NC3=C2C=CC(=C3)Cl)NC4=CC(=CC(=C4)Cl)Cl.Cl
Structure:
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