(2R,4S)-N-(4-bromanyl-2,6-dimethyl-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-N-(4-bromanyl-2,6-dimethyl-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-N-(4-bromo-2,6-dimethyl-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-N-(4-bromo-2,6-dimethylphenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-N-(4-bromo-2,6-dimethylphenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-N-(4-bromo-2,6-dimethyl-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2CC(C[NH2+]2)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)[C@H]2C[C@@H](C[NH2+]2)O)C)Br

InChI

InChI=1S/C13H17BrN2O2/c1-7-3-9(14)4-8(2)12(7)16-13(18)11-5-10(17)6-15-11/h3-4,10-11,15,17H,5-6H2,1-2H3,(H,16,18)/p+1/t10-,11+/m0/s1