ethyl 4-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O3S/c1-2-24-18(23)21-11-9-20(10-12-21)14-17(22)19-8-13-25-15-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,19,22)/p+1