(2R,4S)-N-(4-acetamidophenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C13H17N3O3/c1-8(17)15-9-2-4-10(5-3-9)16-13(19)12-6-11(18)7-14-12/h2-5,11-12,14,18H,6-7H2,1H3,(H,15,17)(H,16,19)/p+1/t11-,12+/m0/s1