(2S,4R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C13H17N2O4+ MolecularWeight: 265.28508

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)[C@@H]3C[C@H](C[NH2+]3)O

InChI

InChI=1S/C13H16N2O4/c16-9-6-10(14-7-9)13(17)15-8-1-2-11-12(5-8)19-4-3-18-11/h1-2,5,9-10,14,16H,3-4,6-7H2,(H,15,17)/p+1/t9-,10+/m1/s1