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

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

Systemtic Name:2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylethanoic acid
Openeye Name:2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylacetic acid
CAS Name:2-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]acetic acid
IUPAC Name:2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylacetic acid
Traditional Name:2-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]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)SCC(=O)O


Isomeric SMILES

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


InChI

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


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