ethyl 4-(2-methylsulfanylethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-(2-methylsulfanylethyl)piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(2-methylsulfanylethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(methylthio)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylsulfanylethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(methylthio)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C10H21N2O2S+ MolecularWeight: 233.35094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCSC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCSC

InChI

InChI=1S/C10H20N2O2S/c1-3-14-10(13)12-6-4-11(5-7-12)8-9-15-2/h3-9H2,1-2H3/p+1