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

Systemtic Name: (C-azaniumylcarbonimidoyl)-[(3,4-diethoxyphenyl)methyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[(3,4-diethoxyphenyl)methyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[(3,4-diethoxyphenyl)methyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[(3,4-diethoxyphenyl)methyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-(3,4-diethoxybenzyl)ammonium sulfate Formula: C12H21N3O6S MolecularWeight: 335.37664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]C(=N)[NH3+])OCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]C(=N)[NH3+])OCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H19N3O2.H2O4S/c1-3-16-10-6-5-9(8-15-12(13)14)7-11(10)17-4-2;1-5(2,3)4/h5-7H,3-4,8H2,1-2H3,(H4,13,14,15);(H2,1,2,3,4)