6-ethoxy-4-(4-methylpiperidin-1-yl)-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-ethoxy-4-(4-methylpiperidin-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-ethoxy-4-(4-methyl-1-piperidyl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethoxy-4-(4-methyl-1-piperidinyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-ethoxy-4-(4-methylpiperidin-1-yl)quinolin-1-ium Traditional Name: 3-besyl-6-ethoxy-4-(4-methylpiperidino)quinolin-1-ium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC(CC4)C

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC(CC4)C

InChI

InChI=1S/C23H26N2O3S/c1-3-28-18-9-10-21-20(15-18)23(25-13-11-17(2)12-14-25)22(16-24-21)29(26,27)19-7-5-4-6-8-19/h4-10,15-17H,3,11-14H2,1-2H3/p+1