methyl 1-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-allylsulfanylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[2-(allylthio)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H25N2O3S+ MolecularWeight: 349.4677

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C18H24N2O3S/c1-3-12-24-16-7-5-4-6-15(16)19-17(21)13-20-10-8-14(9-11-20)18(22)23-2/h3-7,14H,1,8-13H2,2H3,(H,19,21)/p+1