3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-methyl-1-piperazin-4-iumyl)quinoline IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H29N3O2S/c1-5-19-7-9-22-21(15-19)24(27-12-10-26(4)11-13-27)23(16-25-22)30(28,29)20-8-6-17(2)18(3)14-20/h6-9,14-16H,5,10-13H2,1-4H3/p+1