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

Systemtic Name: 3-oxidanylidene-3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-propanoic acid Openeye Name: 3-oxo-3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-propanoic acid CAS Name: 3-oxo-3-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]propanoic acid IUPAC Name: 3-oxo-3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoic acid Traditional Name: 3-keto-3-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]propionic acid Formula: C20H20NO5S+ MolecularWeight: 386.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5S/c22-18-7-4-12-21(18,27-20(25)13-19(23)24)14-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2/p+1