6-ethoxy-3-(4-methylphenyl)sulfonyl-4-piperidin-1-yl-quinolin-1-ium

Systemtic Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-piperidin-1-yl-quinolin-1-ium Openeye Name: 6-ethoxy-4-(1-piperidyl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(1-piperidinyl)quinolin-1-ium IUPAC Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-piperidin-1-ylquinolin-1-ium Traditional Name: 6-ethoxy-4-piperidino-3-tosyl-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=C(C=C3)C)N4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCCC4

InChI

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