ethyl 1-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H26ClN2O3S+ MolecularWeight: 433.97144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O3S/c1-2-28-22(27)16-11-13-25(14-12-16)15-21(26)24-19-5-3-4-6-20(19)29-18-9-7-17(23)8-10-18/h3-10,16H,2,11-15H2,1H3,(H,24,26)/p+1