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

Systemtic Name: methyl 2-[3-methyl-1-(2-oxidanylidenepropyl)-1,2,3,4-tetrazol-1-ium-5-yl]ethanoate Openeye Name: methyl 2-(1-acetonyl-3-methyl-tetrazol-1-ium-5-yl)acetate CAS Name: 2-[3-methyl-1-(2-oxopropyl)-5-tetrazol-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-methyl-1-(2-oxopropyl)tetrazol-1-ium-5-yl]acetate Traditional Name: 2-(1-acetonyl-3-methyl-tetrazol-1-ium-5-yl)acetic acid methyl ester Formula: C8H13N4O3+ MolecularWeight: 213.21382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=NN(N=C1CC(=O)OC)C

Isomeric SMILES

CC(=O)C[N+]1=NN(N=C1CC(=O)OC)C

InChI

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