N-(1-ethylpiperidin-1-ium-4-yl)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[[2-keto-2-(m-toluidino)ethyl]thio]acetamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C18H27N3O2S/c1-3-21-9-7-15(8-10-21)19-17(22)12-24-13-18(23)20-16-6-4-5-14(2)11-16/h4-6,11,15H,3,7-10,12-13H2,1-2H3,(H,19,22)(H,20,23)/p+1