6-methoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 6-methoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 6-methoxy-4-[(3S)-3-methyl-1-piperidyl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-methoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 6-methoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 6-methoxy-4-[(3S)-3-methylpiperidino]-3-tosyl-quinolin-1-ium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)OC

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)OC

InChI

InChI=1S/C23H26N2O3S/c1-16-6-9-19(10-7-16)29(26,27)22-14-24-21-11-8-18(28-3)13-20(21)23(22)25-12-4-5-17(2)15-25/h6-11,13-14,17H,4-5,12,15H2,1-3H3/p+1/t17-/m0/s1