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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2CC(C[NH2+]2)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)[C@H]2C[C@@H](C[NH2+]2)O)OCC

InChI

InChI=1S/C15H22N2O4/c1-3-20-13-6-5-10(7-14(13)21-4-2)17-15(19)12-8-11(18)9-16-12/h5-7,11-12,16,18H,3-4,8-9H2,1-2H3,(H,17,19)/p+1/t11-,12+/m0/s1