N-(4-methylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]thio]-N-(p-tolyl)acetamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C20H24N4O2S/c1-16-2-4-17(5-3-16)22-19(25)14-27-15-20(26)24-12-10-23(11-13-24)18-6-8-21-9-7-18/h2-9H,10-15H2,1H3,(H,22,25)/p+1