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

Systemtic Name: (2R,4S)-N-[(4-methylphenyl)methyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-4-hydroxy-N-(p-tolylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-4-hydroxy-N-(4-methylbenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)7-15-13(17)12-6-11(16)8-14-12/h2-5,11-12,14,16H,6-8H2,1H3,(H,15,17)/p+1/t11-,12+/m0/s1