(phenylmethyl) 3-ethyl-1-(4-methyl-1-oxidanylidene-pentan-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-ethyl-1-(4-methyl-1-oxidanylidene-pentan-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 3-ethyl-1-(1-formyl-3-methyl-butyl)-2,5-dioxo-pyrrolidin-1-ium-1-carboxylate CAS Name: 3-ethyl-1-(4-methyl-1-oxopentan-2-yl)-2,5-dioxo-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-ethyl-1-(4-methyl-1-oxopentan-2-yl)-2,5-dioxopyrrolidin-1-ium-1-carboxylate Traditional Name: 3-ethyl-1-(1-formyl-3-methyl-butyl)-2,5-diketo-pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C20H26NO5+ MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)[N+](C1=O)(C(CC(C)C)C=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC1CC(=O)[N+](C1=O)(C(CC(C)C)C=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26NO5/c1-4-16-11-18(23)21(19(16)24,17(12-22)10-14(2)3)20(25)26-13-15-8-6-5-7-9-15/h5-9,12,14,16-17H,4,10-11,13H2,1-3H3/q+1