(phenylmethyl) 2-[1-methyl-2-(phenylcarbonylcarbamoyl)pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-methyl-2-(phenylcarbonylcarbamoyl)pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: benzyl 2-[2-(benzoylcarbamoyl)-1-methyl-pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[2-[benzamido(oxo)methyl]-1-methyl-1-pyrrolidin-1-iumyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(benzoylcarbamoyl)-1-methylpyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[2-(benzoylcarbamoyl)-1-methyl-pyrrolidin-1-ium-1-yl]acetic acid benzyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C(=O)NC(=O)C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCCC1C(=O)NC(=O)C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-24(15-20(25)28-16-17-9-4-2-5-10-17)14-8-13-19(24)22(27)23-21(26)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3/p+1