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

Systemtic Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium Openeye Name: 6,7-dimethoxy-4-(4-methyl-1-piperidyl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methyl-1-piperidinyl)quinolin-1-ium IUPAC Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium Traditional Name: 6,7-dimethoxy-4-(4-methylpiperidino)-3-tosyl-quinolin-1-ium Formula: C24H29N2O4S+ MolecularWeight: 441.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=[NH+]C3=CC(=C(C=C32)OC)OC)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=[NH+]C3=CC(=C(C=C32)OC)OC)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N2O4S/c1-16-5-7-18(8-6-16)31(27,28)23-15-25-20-14-22(30-4)21(29-3)13-19(20)24(23)26-11-9-17(2)10-12-26/h5-8,13-15,17H,9-12H2,1-4H3/p+1