3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoic acid Openeye Name: 3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]propionic acid Formula: C20H22NO4S+ MolecularWeight: 372.45798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S/c22-19-7-4-13-21(19,26-14-12-20(23)24)15-16-8-10-18(11-9-16)25-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2/p+1