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

Systemtic Name: methyl 1-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H24ClN2O3S+ MolecularWeight: 419.94486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3S/c1-27-21(26)15-10-12-24(13-11-15)14-20(25)23-18-4-2-3-5-19(18)28-17-8-6-16(22)7-9-17/h2-9,15H,10-14H2,1H3,(H,23,25)/p+1