bis(azanyl)methylidene-(4-carboxyphenyl)azanium; methanesulfonate

Systemtic Name: bis(azanyl)methylidene-(4-carboxyphenyl)azanium; methanesulfonate Openeye Name: (4-carboxyphenyl)-(diaminomethylene)ammonium; methanesulfonate CAS Name: (4-carboxyphenyl)-(diaminomethylidene)ammonium; methanesulfonate IUPAC Name: (4-carboxyphenyl)-(diaminomethylidene)azanium; methanesulfonate Traditional Name: (4-carboxyphenyl)-(diaminomethylene)ammonium mesylate Formula: C9H13N3O5S MolecularWeight: 275.28162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)O)[NH+]=C(N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)O)[NH+]=C(N)N

InChI

InChI=1S/C8H9N3O2.CH4O3S/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;1-5(2,3)4/h1-4H,(H,12,13)(H4,9,10,11);1H3,(H,2,3,4)