(2R,4S)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-N-(5-chloro-2,4-dimethoxy-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-N-(5-chloro-2,4-dimethoxyphenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-N-(5-chloro-2,4-dimethoxyphenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-N-(5-chloro-2,4-dimethoxy-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C13H18ClN2O4+ MolecularWeight: 301.74602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CC(C[NH2+]2)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)[C@H]2C[C@@H](C[NH2+]2)O)Cl)OC

InChI

InChI=1S/C13H17ClN2O4/c1-19-11-5-12(20-2)9(4-8(11)14)16-13(18)10-3-7(17)6-15-10/h4-5,7,10,15,17H,3,6H2,1-2H3,(H,16,18)/p+1/t7-,10+/m0/s1