6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-piperidin-1-yl-quinolin-1-ium

Systemtic Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-piperidin-1-yl-quinolin-1-ium Openeye Name: 6,7-dimethoxy-4-(1-piperidyl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-(1-piperidinyl)quinolin-1-ium IUPAC Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-piperidin-1-ylquinolin-1-ium Traditional Name: 6,7-dimethoxy-4-piperidino-3-tosyl-quinolin-1-ium Formula: C23H27N2O4S+ MolecularWeight: 427.53648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC(=C(C=C3[NH+]=C2)OC)OC)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC(=C(C=C3[NH+]=C2)OC)OC)N4CCCCC4

InChI

InChI=1S/C23H26N2O4S/c1-16-7-9-17(10-8-16)30(26,27)22-15-24-19-14-21(29-3)20(28-2)13-18(19)23(22)25-11-5-4-6-12-25/h7-10,13-15H,4-6,11-12H2,1-3H3/p+1