2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]-2-sulfanyl-ethanoic acid Openeye Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]-2-sulfanyl-acetic acid CAS Name: 2-mercapto-2-[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]acetic acid IUPAC Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]-2-sulfanylacetic acid Traditional Name: 2-[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]-2-mercapto-acetic acid Formula: C19H20NO4S+ MolecularWeight: 358.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(C(=O)O)S

Isomeric SMILES

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(C(=O)O)S

InChI

InChI=1S/C19H19NO4S/c21-17-7-4-12-20(17,18(25)19(22)23)13-14-8-10-16(11-9-14)24-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-13H2,(H-,22,23,25)/p+1