bis(azanyl)methylidene-[(3,4,5-trimethoxyphenyl)carbonylamino]azanium sulfate

Systemtic Name: bis(azanyl)methylidene-[(3,4,5-trimethoxyphenyl)carbonylamino]azanium sulfate Openeye Name: diaminomethylene-[(3,4,5-trimethoxybenzoyl)amino]ammonium sulfate CAS Name: diaminomethylidene-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ammonium sulfate IUPAC Name: diaminomethylidene-[(3,4,5-trimethoxybenzoyl)amino]azanium sulfate Traditional Name: diaminomethylene-[(3,4,5-trimethoxybenzoyl)amino]ammonium sulfate Formula: C22H34N8O12S MolecularWeight: 634.61676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N[NH+]=C(N)N.COC1=CC(=CC(=C1OC)OC)C(=O)N[NH+]=C(N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N[NH+]=C(N)N.COC1=CC(=CC(=C1OC)OC)C(=O)N[NH+]=C(N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C11H16N4O4.H2O4S/c2*1-17-7-4-6(10(16)14-15-11(12)13)5-8(18-2)9(7)19-3;1-5(2,3)4/h2*4-5H,1-3H3,(H,14,16)(H4,12,13,15);(H2,1,2,3,4)