ethyl (2R)-2-phenylsulfanyl-2-pyrrolidin-1-ium-1-yl-ethanoate

Systemtic Name: ethyl (2R)-2-phenylsulfanyl-2-pyrrolidin-1-ium-1-yl-ethanoate Openeye Name: ethyl (2R)-2-phenylsulfanyl-2-pyrrolidin-1-ium-1-yl-acetate CAS Name: (2R)-2-(phenylthio)-2-(1-pyrrolidin-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-phenylsulfanyl-2-pyrrolidin-1-ium-1-ylacetate Traditional Name: (2R)-2-(phenylthio)-2-pyrrolidin-1-ium-1-yl-acetic acid ethyl ester Formula: C14H20NO2S+ MolecularWeight: 266.3791

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C([NH+]1CCCC1)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]([NH+]1CCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C14H19NO2S/c1-2-17-14(16)13(15-10-6-7-11-15)18-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3/p+1/t13-/m1/s1