ethyl 4-cyclohexylsulfanylpyrrolidin-1-ium-2-carboxylate

Systemtic Name: ethyl 4-cyclohexylsulfanylpyrrolidin-1-ium-2-carboxylate Openeye Name: ethyl 4-cyclohexylsulfanylpyrrolidin-1-ium-2-carboxylate CAS Name: 4-(cyclohexylthio)-2-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclohexylsulfanylpyrrolidin-1-ium-2-carboxylate Traditional Name: 4-(cyclohexylthio)pyrrolidin-1-ium-2-carboxylic acid ethyl ester Formula: C13H24NO2S+ MolecularWeight: 258.40016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C[NH2+]1)SC2CCCCC2

Isomeric SMILES

CCOC(=O)C1CC(C[NH2+]1)SC2CCCCC2

InChI

InChI=1S/C13H23NO2S/c1-2-16-13(15)12-8-11(9-14-12)17-10-6-4-3-5-7-10/h10-12,14H,2-9H2,1H3/p+1