6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline

Systemtic Name: 6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Openeye Name: 6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline CAS Name: 6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)quinoline IUPAC Name: 6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Traditional Name: 6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=NC3=CC(=C(C=C32)OC)OC)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=NC3=CC(=C(C=C32)OC)OC)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O5S/c1-25-9-11-26(12-10-25)23-18-13-20(30-3)21(31-4)14-19(18)24-15-22(23)32(27,28)17-7-5-16(29-2)6-8-17/h5-8,13-15H,9-12H2,1-4H3/p+1