methanesulfonate; methyl 2-[1-methyl-4-(2-oxidanylidenepropyl)-1,2,3,4-tetrazol-1-ium-5-yl]ethanoate

Systemtic Name: methanesulfonate; methyl 2-[1-methyl-4-(2-oxidanylidenepropyl)-1,2,3,4-tetrazol-1-ium-5-yl]ethanoate Openeye Name: methanesulfonate; methyl 2-(1-acetonyl-4-methyl-tetrazol-4-ium-5-yl)acetate CAS Name: methanesulfonate; 2-[1-methyl-4-(2-oxopropyl)-5-tetrazol-1-iumyl]acetic acid methyl ester IUPAC Name: methanesulfonate; methyl 2-[1-methyl-4-(2-oxopropyl)tetrazol-1-ium-5-yl]acetate Traditional Name: 2-(1-acetonyl-4-methyl-tetrazol-4-ium-5-yl)acetic acid methyl ester mesylate Formula: C9H16N4O6S MolecularWeight: 308.31154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N4O3.CH4O3S/c1-6(13)5-12-7(4-8(14)15-3)11(2)9-10-12;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1