(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4R)-N-homoveratryl-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-20-13-4-3-10(7-14(13)21-2)5-6-16-15(19)12-8-11(18)9-17-12/h3-4,7,11-12,17-18H,5-6,8-9H2,1-2H3,(H,16,19)/p+1/t11-,12-/m1/s1