[bis(azanyl)methylideneamino] benzoate; methanesulfonate; hydrochloride

Systemtic Name: [bis(azanyl)methylideneamino] benzoate; methanesulfonate; hydrochloride Openeye Name: guanidino benzoate; methanesulfonate; hydrochloride CAS Name: benzoic acid (diaminomethylideneamino) ester; methanesulfonate; hydrochloride IUPAC Name: (diaminomethylideneamino) benzoate; methanesulfonate; hydrochloride Traditional Name: benzoic acid guanidino ester mesylate hydrochloride Formula: C9H13ClN3O5S- MolecularWeight: 310.73462

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)ON=C(N)N.Cl

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)ON=C(N)N.Cl

InChI

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