cinnolin-2-ium; methanesulfonate

Systemtic Name: cinnolin-2-ium; methanesulfonate Openeye Name: cinnolin-2-ium; methanesulfonate CAS Name: cinnolin-2-ium; methanesulfonate IUPAC Name: cinnolin-2-ium; methanesulfonate Traditional Name: cinnolin-2-ium mesylate Formula: C9H10N2O3S MolecularWeight: 226.2523

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[NH+]=N2

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[NH+]=N2

InChI

InChI=1S/C8H6N2.CH4O3S/c1-2-4-8-7(3-1)5-6-9-10-8;1-5(2,3)4/h1-6H;1H3,(H,2,3,4)