4-(azepan-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 4-(azepan-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-(azepan-1-yl)-6,7-dimethoxy-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-(1-azepanyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-(azepan-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-(azepan-1-yl)-6,7-dimethoxy-3-tosyl-quinolin-1-ium Formula: C24H29N2O4S+ MolecularWeight: 441.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC(=C(C=C3[NH+]=C2)OC)OC)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC(=C(C=C3[NH+]=C2)OC)OC)N4CCCCCC4

InChI

InChI=1S/C24H28N2O4S/c1-17-8-10-18(11-9-17)31(27,28)23-16-25-20-15-22(30-3)21(29-2)14-19(20)24(23)26-12-6-4-5-7-13-26/h8-11,14-16H,4-7,12-13H2,1-3H3/p+1