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

Systemtic Name: (2R,4S)-N-(2-ethylphenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-N-(2-ethylphenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-N-(2-ethylphenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-N-(2-ethylphenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-N-(2-ethylphenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C13H19N2O2+ MolecularWeight: 235.30216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C13H18N2O2/c1-2-9-5-3-4-6-11(9)15-13(17)12-7-10(16)8-14-12/h3-6,10,12,14,16H,2,7-8H2,1H3,(H,15,17)/p+1/t10-,12+/m0/s1