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

Systemtic Name: 1-[1-methyl-4-(2-oxidanylidenepropyl)-1,2,3,4-tetrazol-1-ium-5-yl]propan-2-one Openeye Name: 1-(1-acetonyl-4-methyl-tetrazol-4-ium-5-yl)propan-2-one CAS Name: 1-[1-methyl-4-(2-oxopropyl)-5-tetrazol-1-iumyl]-2-propanone IUPAC Name: 1-[1-methyl-4-(2-oxopropyl)tetrazol-1-ium-5-yl]propan-2-one Traditional Name: 1-(1-acetonyl-4-methyl-tetrazol-4-ium-5-yl)acetone Formula: C8H13N4O2+ MolecularWeight: 197.21442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=[N+](N=NN1CC(=O)C)C

Isomeric SMILES

CC(=O)CC1=[N+](N=NN1CC(=O)C)C

InChI

InChI=1S/C8H13N4O2/c1-6(13)4-8-11(3)9-10-12(8)5-7(2)14/h4-5H2,1-3H3/q+1