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

Systemtic Name: (2S,4R)-N-(1,3-benzodioxol-5-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(1,3-benzodioxol-5-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(1,3-benzodioxol-5-yl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(1,3-benzodioxol-5-yl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(1,3-benzodioxol-5-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C12H15N2O4+ MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C12H14N2O4/c15-8-4-9(13-5-8)12(16)14-7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,13,15H,4-6H2,(H,14,16)/p+1/t8-,9+/m1/s1