(2R,4S)-N-(3,5-dimethoxyphenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-N-(3,5-dimethoxyphenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-N-(3,5-dimethoxyphenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-N-(3,5-dimethoxyphenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-N-(3,5-dimethoxyphenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-N-(3,5-dimethoxyphenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C13H19N2O4+ MolecularWeight: 267.30096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2CC(C[NH2+]2)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)[C@H]2C[C@@H](C[NH2+]2)O)OC

InChI

InChI=1S/C13H18N2O4/c1-18-10-3-8(4-11(6-10)19-2)15-13(17)12-5-9(16)7-14-12/h3-4,6,9,12,14,16H,5,7H2,1-2H3,(H,15,17)/p+1/t9-,12+/m0/s1