(C-azaniumylcarbonimidoyl)-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]ammonium sulfate Formula: C10H15N3O7S MolecularWeight: 321.307

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[NH2+]C(=N)[NH3+])O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[NH2+]C(=N)[NH3+])O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H13N3O3.H2O4S/c11-10(12)13-4-7(14)6-1-2-8-9(3-6)16-5-15-8;1-5(2,3)4/h1-3,7,14H,4-5H2,(H4,11,12,13);(H2,1,2,3,4)