(2R,4S)-N-[2-(methylcarbamoyl)phenyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-N-[2-(methylcarbamoyl)phenyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-4-hydroxy-N-[2-(methylcarbamoyl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-4-hydroxy-N-[2-(methylcarbamoyl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-4-hydroxy-N-[2-(methylcarbamoyl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1NC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CNC(=O)C1=CC=CC=C1NC(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C13H17N3O3/c1-14-12(18)9-4-2-3-5-10(9)16-13(19)11-6-8(17)7-15-11/h2-5,8,11,15,17H,6-7H2,1H3,(H,14,18)(H,16,19)/p+1/t8-,11+/m0/s1