4-methyl-4-(4-methyl-1,2,3,4-tetrazol-4-ium-1-yl)pentan-2-one perchlorate

Systemtic Name: 4-methyl-4-(4-methyl-1,2,3,4-tetrazol-4-ium-1-yl)pentan-2-one perchlorate Openeye Name: 4-methyl-4-(4-methyltetrazol-4-ium-1-yl)pentan-2-one perchlorate CAS Name: 4-methyl-4-(4-methyl-1-tetrazol-4-iumyl)-2-pentanone perchlorate IUPAC Name: 4-methyl-4-(4-methyltetrazol-4-ium-1-yl)pentan-2-one perchlorate Traditional Name: 4-methyl-4-(4-methyltetrazol-4-ium-1-yl)pentan-2-one perchlorate Formula: C8H15ClN4O5 MolecularWeight: 282.6815

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)N1C=[N+](N=N1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)CC(C)(C)N1C=[N+](N=N1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C8H15N4O.ClHO4/c1-7(13)5-8(2,3)12-6-11(4)9-10-12;2-1(3,4)5/h6H,5H2,1-4H3;(H,2,3,4,5)/q+1;/p-1