benzenesulfonate; 2,6-bis(azanyl)-4-methyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: benzenesulfonate; 2,6-bis(azanyl)-4-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: benzenesulfonate; 2,6-diamino-4-methyl-pyridin-1-ium-3-carbonitrile CAS Name: benzenesulfonate; 2,6-diamino-4-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: benzenesulfonate; 2,6-diamino-4-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2,6-diamino-4-methyl-pyridin-1-ium-3-carbonitrile besylate Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H8N4.C6H6O3S/c1-4-2-6(9)11-7(10)5(4)3-8;7-10(8,9)6-4-2-1-3-5-6/h2H,1H3,(H4,9,10,11);1-5H,(H,7,8,9)