ethyl (2R)-2-(phenylsulfanylmethyl)-3-pyrrolidin-1-ium-1-yl-propanoate

Systemtic Name: ethyl (2R)-2-(phenylsulfanylmethyl)-3-pyrrolidin-1-ium-1-yl-propanoate Openeye Name: ethyl (2R)-2-(phenylsulfanylmethyl)-3-pyrrolidin-1-ium-1-yl-propanoate CAS Name: (2R)-2-[(phenylthio)methyl]-3-(1-pyrrolidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(phenylsulfanylmethyl)-3-pyrrolidin-1-ium-1-ylpropanoate Traditional Name: (2R)-2-[(phenylthio)methyl]-3-pyrrolidin-1-ium-1-yl-propionic acid ethyl ester Formula: C16H24NO2S+ MolecularWeight: 294.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+]1CCCC1)CSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H](C[NH+]1CCCC1)CSC2=CC=CC=C2

InChI

InChI=1S/C16H23NO2S/c1-2-19-16(18)14(12-17-10-6-7-11-17)13-20-15-8-4-3-5-9-15/h3-5,8-9,14H,2,6-7,10-13H2,1H3/p+1/t14-/m0/s1