N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-[(4-methylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(p-tolylthio)nicotinamide Formula: C25H29N4OS+ MolecularWeight: 433.58896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4OS/c1-18-6-9-21(10-7-18)31-25-22(5-4-12-26-25)24(30)27-23-11-8-20(17-19(23)2)29-15-13-28(3)14-16-29/h4-12,17H,13-16H2,1-3H3,(H,27,30)/p+1