3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpyrrolidine-2,5-dione

Systemtic Name: 3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpyrrolidine-2,5-dione Openeye Name: 3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpyrrolidine-2,5-dione CAS Name: 3-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]pyrrolidine-2,5-dione IUPAC Name: 3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpyrrolidine-2,5-dione Traditional Name: 3-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]pyrrolidine-2,5-quinone Formula: C21H21N2O4S+ MolecularWeight: 397.46744

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)SC4CC(=O)NC4=O

Isomeric SMILES

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)SC4CC(=O)NC4=O

InChI

InChI=1S/C21H20N2O4S/c24-19-13-18(21(26)22-19)28-23(12-4-7-20(23)25)14-15-8-10-17(11-9-15)27-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14H2/p+1