methyl (2R,5S)-1-(phenylmethyl)-5-[(phenylmethyl)carbamoyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R,5S)-1-(phenylmethyl)-5-[(phenylmethyl)carbamoyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2R,5S)-1-benzyl-5-(benzylcarbamoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2R,5S)-5-[oxo-[(phenylmethyl)amino]methyl]-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R,5S)-1-benzyl-5-(benzylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R,5S)-1-benzyl-5-(benzylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC([NH+]1CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CC[C@H]([NH+]1CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-26-21(25)19-13-12-18(23(19)15-17-10-6-3-7-11-17)20(24)22-14-16-8-4-2-5-9-16/h2-11,18-19H,12-15H2,1H3,(H,22,24)/p+1/t18-,19+/m0/s1