2-(3,4-dimethylphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]nicotinamide Formula: C24H28N5OS+ MolecularWeight: 434.57702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C24H27N5OS/c1-17-6-8-20(15-18(17)2)31-24-21(5-4-10-25-24)23(30)27-19-7-9-22(26-16-19)29-13-11-28(3)12-14-29/h4-10,15-16H,11-14H2,1-3H3,(H,27,30)/p+1