[(2-carbamimidoylphenyl)carbonylamino]azanium sulfate

Systemtic Name: [(2-carbamimidoylphenyl)carbonylamino]azanium sulfate Openeye Name: [(2-carbamimidoylbenzoyl)amino]ammonium sulfate CAS Name: [[(2-carbamimidoylphenyl)-oxomethyl]amino]ammonium sulfate IUPAC Name: [(2-carbamimidoylbenzoyl)amino]azanium sulfate Traditional Name: [(2-amidinobenzoyl)amino]ammonium sulfate Formula: C16H22N8O6S MolecularWeight: 454.46088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=N)N)C(=O)N[NH3+].C1=CC=C(C(=C1)C(=N)N)C(=O)N[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=N)N)C(=O)N[NH3+].C1=CC=C(C(=C1)C(=N)N)C(=O)N[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C8H10N4O.H2O4S/c2*9-7(10)5-3-1-2-4-6(5)8(13)12-11;1-5(2,3)4/h2*1-4H,11H2,(H3,9,10)(H,12,13);(H2,1,2,3,4)