3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6,7-dimethoxy-quinoline

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6,7-dimethoxy-quinoline Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6,7-dimethoxy-quinoline CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethyl-1-piperazin-4-iumyl)-6,7-dimethoxyquinoline IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6,7-dimethoxyquinoline Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6,7-dimethoxy-quinoline Formula: C25H32N3O4S+ MolecularWeight: 470.60428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-6-27-9-11-28(12-10-27)25-20-14-22(31-4)23(32-5)15-21(20)26-16-24(25)33(29,30)19-8-7-17(2)18(3)13-19/h7-8,13-16H,6,9-12H2,1-5H3/p+1