(C-azaniumylcarbonimidoyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium; ethanedioate

Systemtic Name: (C-azaniumylcarbonimidoyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium; ethanedioate Openeye Name: (azaniumylcarbonimidoyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium; oxalate CAS Name: [ammonio(imino)methyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium; oxalate IUPAC Name: (C-azaniumylcarbonimidoyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium; oxalate Traditional Name: (ammoniocarbonimidoyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium; oxalate Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC[NH2+]C(=N)[NH3+].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CC[NH2+]C(=N)[NH3+].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C11H15N3O2.C2H2O4/c12-11(13)14-4-3-8-1-2-9-10(7-8)16-6-5-15-9;3-1(4)2(5)6/h1-2,7H,3-6H2,(H4,12,13,14);(H,3,4)(H,5,6)