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

Systemtic Name: ethyl 1-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(2-methylsulfanylanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-[2-(methylthio)anilino]-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-[2-(methylthio)anilino]propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27N2O3S+ MolecularWeight: 351.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C18H26N2O3S/c1-3-23-18(22)14-8-11-20(12-9-14)13-10-17(21)19-15-6-4-5-7-16(15)24-2/h4-7,14H,3,8-13H2,1-2H3,(H,19,21)/p+1