3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-quinoline CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-quinoline Formula: C29H32N3O3S+ MolecularWeight: 502.64768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CC[NH+](CC4)CC5=CC=CC=C5)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CC[NH+](CC4)CC5=CC=CC=C5)OC)C

InChI

InChI=1S/C29H31N3O3S/c1-21-9-11-25(17-22(21)2)36(33,34)28-19-30-27-12-10-24(35-3)18-26(27)29(28)32-15-13-31(14-16-32)20-23-7-5-4-6-8-23/h4-12,17-19H,13-16,20H2,1-3H3/p+1