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

Systemtic Name: (2R,4S)-N-(2-methoxy-5-methyl-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-4-hydroxy-N-(2-methoxy-5-methylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-8-3-4-12(18-2)10(5-8)15-13(17)11-6-9(16)7-14-11/h3-5,9,11,14,16H,6-7H2,1-2H3,(H,15,17)/p+1/t9-,11+/m0/s1