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

Systemtic Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-2-carboxamide Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C14H18N2O3/c17-14(11-3-1-6-15-11)16-10-4-5-12-13(9-10)19-8-2-7-18-12/h4-5,9,11,15H,1-3,6-8H2,(H,16,17)/p+1/t11-/m1/s1