ethyl 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[3-(methylthio)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[3-(methylthio)anilino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H25N2O3S+ MolecularWeight: 337.457

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C17H24N2O3S/c1-3-22-17(21)13-7-9-19(10-8-13)12-16(20)18-14-5-4-6-15(11-14)23-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,18,20)/p+1