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

Systemtic Name: N-(4-methoxyphenyl)-2-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-acetamide CAS Name: N-(4-methoxyphenyl)-2-[[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H26N4O3S/c1-28-19-4-2-18(3-5-19)23-20(26)15-29-16-21(27)25-12-10-24(11-13-25)14-17-6-8-22-9-7-17/h2-9H,10-16H2,1H3,(H,23,26)/p+1