4-(azepan-1-yl)-6-methoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 4-(azepan-1-yl)-6-methoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-(azepan-1-yl)-6-methoxy-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-(1-azepanyl)-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-(azepan-1-yl)-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-(azepan-1-yl)-6-methoxy-3-tosyl-quinolin-1-ium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCCCC4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCCCC4)OC

InChI

InChI=1S/C23H26N2O3S/c1-17-7-10-19(11-8-17)29(26,27)22-16-24-21-12-9-18(28-2)15-20(21)23(22)25-13-5-3-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3/p+1