(2R,4R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CC(C[NH2+]3)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)[C@H]3C[C@H](C[NH2+]3)O)OC1

InChI

InChI=1S/C14H18N2O4/c17-10-7-11(15-8-10)14(18)16-9-2-3-12-13(6-9)20-5-1-4-19-12/h2-3,6,10-11,15,17H,1,4-5,7-8H2,(H,16,18)/p+1/t10-,11-/m1/s1