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

Systemtic Name: N-(4-methoxyphenyl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(4-methoxyphenyl)-2-[[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-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-(4-methoxyphenyl)acetamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C20H24N4O3S/c1-27-18-4-2-16(3-5-18)22-19(25)14-28-15-20(26)24-12-10-23(11-13-24)17-6-8-21-9-7-17/h2-9H,10-15H2,1H3,(H,22,25)/p+1