methanesulfonate; 1-(4-methyl-1,2,3,4-tetrazol-4-ium-1-yl)propan-2-one

Systemtic Name: methanesulfonate; 1-(4-methyl-1,2,3,4-tetrazol-4-ium-1-yl)propan-2-one Openeye Name: methanesulfonate; 1-(4-methyltetrazol-4-ium-1-yl)propan-2-one CAS Name: methanesulfonate; 1-(4-methyl-1-tetrazol-4-iumyl)-2-propanone IUPAC Name: methanesulfonate; 1-(4-methyltetrazol-4-ium-1-yl)propan-2-one Traditional Name: 1-(4-methyltetrazol-4-ium-1-yl)acetone mesylate Formula: C6H12N4O4S MolecularWeight: 236.24888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=[N+](N=N1)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)CN1C=[N+](N=N1)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C5H9N4O.CH4O3S/c1-5(10)3-9-4-8(2)6-7-9;1-5(2,3)4/h4H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1