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

Systemtic Name: 4-methyl-4-(4-phenyl-1,2,3,4-tetrazol-1-ium-1-yl)pentan-2-one perchlorate Openeye Name: 4-methyl-4-(4-phenyltetrazol-1-ium-1-yl)pentan-2-one perchlorate CAS Name: 4-methyl-4-(4-phenyl-1-tetrazol-1-iumyl)-2-pentanone perchlorate IUPAC Name: 4-methyl-4-(4-phenyltetrazol-1-ium-1-yl)pentan-2-one perchlorate Traditional Name: 4-methyl-4-(4-phenyltetrazol-1-ium-1-yl)pentan-2-one perchlorate Formula: C13H17ClN4O5 MolecularWeight: 344.75088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)[N+]1=CN(N=N1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)CC(C)(C)[N+]1=CN(N=N1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H17N4O.ClHO4/c1-11(18)9-13(2,3)17-10-16(14-15-17)12-7-5-4-6-8-12;2-1(3,4)5/h4-8,10H,9H2,1-3H3;(H,2,3,4,5)/q+1;/p-1