N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-(phenylthio)acetamide Formula: C19H26N4OS+2 MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H24N4OS/c1-22-10-12-23(13-11-22)19-16(6-5-9-20-19)14-21-18(24)15-25-17-7-3-2-4-8-17/h2-9H,10-15H2,1H3,(H,21,24)/p+2