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

Systemtic Name: 6-ethoxy-4-[(3S)-3-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-ethoxy-4-[(3S)-3-methyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethoxy-4-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-ethoxy-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-6-ethoxy-4-[(3S)-3-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)N4CCCC(C4)C

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC[C@@H](C4)C

InChI

InChI=1S/C23H26N2O3S/c1-3-28-18-11-12-21-20(14-18)23(25-13-7-8-17(2)16-25)22(15-24-21)29(26,27)19-9-5-4-6-10-19/h4-6,9-12,14-15,17H,3,7-8,13,16H2,1-2H3/p+1/t17-/m0/s1