benzenesulfonate; 1-methyl-4-[(phenylmethylidene)amino]-1,2,3,4-tetrazol-1-ium-5-amine

Systemtic Name: benzenesulfonate; 1-methyl-4-[(phenylmethylidene)amino]-1,2,3,4-tetrazol-1-ium-5-amine Openeye Name: benzenesulfonate; 1-(benzylideneamino)-4-methyl-tetrazol-4-ium-5-amine CAS Name: benzenesulfonate; 1-methyl-4-[(phenylmethylene)amino]-5-tetrazol-1-iumamine IUPAC Name: benzenesulfonate; 1-(benzylideneamino)-4-methyltetrazol-4-ium-5-amine Traditional Name: [1-(benzalamino)-4-methyl-tetrazol-4-ium-5-yl]amine besylate Formula: C15H16N6O3S MolecularWeight: 360.39094

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(N=N1)N=CC2=CC=CC=C2)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(N(N=N1)N=CC2=CC=CC=C2)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H10N6.C6H6O3S/c1-14-9(10)15(13-12-14)11-7-8-5-3-2-4-6-8;7-10(8,9)6-4-2-1-3-5-6/h2-7,10H,1H3;1-5H,(H,7,8,9)