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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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