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

Systemtic Name: methanesulfonate; methyl 2-(1-methyl-4-phenacyl-1,2,3,4-tetrazol-1-ium-5-yl)ethanoate Openeye Name: methanesulfonate; methyl 2-(1-methyl-4-phenacyl-tetrazol-1-ium-5-yl)acetate CAS Name: methanesulfonate; 2-(1-methyl-4-phenacyl-5-tetrazol-1-iumyl)acetic acid methyl ester IUPAC Name: methanesulfonate; methyl 2-(1-methyl-4-phenacyltetrazol-1-ium-5-yl)acetate Traditional Name: 2-(1-methyl-4-phenacyl-tetrazol-1-ium-5-yl)acetic acid methyl ester mesylate Formula: C14H18N4O6S MolecularWeight: 370.38092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(N=N1)CC(=O)C2=CC=CC=C2)CC(=O)OC.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(N(N=N1)CC(=O)C2=CC=CC=C2)CC(=O)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H15N4O3.CH4O3S/c1-16-12(8-13(19)20-2)17(15-14-16)9-11(18)10-6-4-3-5-7-10;1-5(2,3)4/h3-7H,8-9H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1