(C-azaniumylcarbonimidoyl)-[(3,4-dimethoxyphenyl)methyl]azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-[(3,4-dimethoxyphenyl)methyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[(3,4-dimethoxyphenyl)methyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[(3,4-dimethoxyphenyl)methyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[(3,4-dimethoxyphenyl)methyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-veratryl-ammonium sulfate Formula: C10H17N3O6S MolecularWeight: 307.32348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C(=N)[NH3+])OC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C(=N)[NH3+])OC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H15N3O2.H2O4S/c1-14-8-4-3-7(5-9(8)15-2)6-13-10(11)12;1-5(2,3)4/h3-5H,6H2,1-2H3,(H4,11,12,13);(H2,1,2,3,4)