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

Systemtic Name: (2R,4S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C13H18ClN2O3+ MolecularWeight: 285.74662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C13H17ClN2O3/c1-7-3-10(12(19-2)5-9(7)14)16-13(18)11-4-8(17)6-15-11/h3,5,8,11,15,17H,4,6H2,1-2H3,(H,16,18)/p+1/t8-,11+/m0/s1