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

Systemtic Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: (2S)-N-(1-ethyl-4-piperidin-1-iumyl)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-4-22-11-9-17(10-12-22)21-19(24)15(3)25-13-18(23)20-16-7-5-14(2)6-8-16/h5-8,15,17H,4,9-13H2,1-3H3,(H,20,23)(H,21,24)/p+1/t15-/m0/s1