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

Systemtic Name: 4-oxidanylidene-4-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-butanoic acid Openeye Name: 4-oxo-4-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-butanoic acid CAS Name: 4-oxo-4-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]butanoic acid IUPAC Name: 4-oxo-4-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylbutanoic acid Traditional Name: 4-keto-4-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]butyric acid Formula: C21H22NO5S+ MolecularWeight: 400.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c23-19-7-4-14-22(19,28-21(26)13-12-20(24)25)15-16-8-10-18(11-9-16)27-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2/p+1