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

Systemtic Name: ethyl 4-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-(methylthio)anilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[2-(methylthio)anilino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C16H23N3O3S/c1-3-22-16(21)19-10-8-18(9-11-19)12-15(20)17-13-6-4-5-7-14(13)23-2/h4-7H,3,8-12H2,1-2H3,(H,17,20)/p+1