(C-azaniumylcarbonimidoyl)-(1,3-benzodioxol-5-ylmethyl)azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-(1,3-benzodioxol-5-ylmethyl)azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-(1,3-benzodioxol-5-ylmethyl)ammonium sulfate CAS Name: [ammonio(imino)methyl]-(1,3-benzodioxol-5-ylmethyl)ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-(1,3-benzodioxol-5-ylmethyl)azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-piperonyl-ammonium sulfate Formula: C9H13N3O6S MolecularWeight: 291.28102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O2.H2O4S/c10-9(11)12-4-6-1-2-7-8(3-6)14-5-13-7;1-5(2,3)4/h1-3H,4-5H2,(H4,10,11,12);(H2,1,2,3,4)