2-methylsulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(methylthio)nicotinamide Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c1-30-24-22(8-5-13-25-24)23(29)26-20-9-11-21(12-10-20)28-16-14-27(15-17-28)18-19-6-3-2-4-7-19/h2-13H,14-18H2,1H3,(H,26,29)/p+1