(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: (2-chloro-7,8-dimethyl-3-quinolinyl)methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]ammonium Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH2+]C(C)C3=CC=C(C=C3)S(=O)(=O)N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH2+][C@@H](C)C3=CC=C(C=C3)S(=O)(=O)N)Cl)C

InChI

InChI=1S/C20H22ClN3O2S/c1-12-4-5-16-10-17(20(21)24-19(16)13(12)2)11-23-14(3)15-6-8-18(9-7-15)27(22,25)26/h4-10,14,23H,11H2,1-3H3,(H2,22,25,26)/p+1/t14-/m0/s1