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

Systemtic Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Openeye Name: 6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-yl)-3-tosyl-quinolin-1-ium Formula: C23H29N3O4S+2 MolecularWeight: 443.55906

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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)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC(=C(C=C3[NH+]=C2)OC)OC)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N3O4S/c1-16-5-7-17(8-6-16)31(27,28)22-15-24-19-14-21(30-4)20(29-3)13-18(19)23(22)26-11-9-25(2)10-12-26/h5-8,13-15H,9-12H2,1-4H3/p+2