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

Systemtic Name: 4-methyl-4-(4-phenyl-1,2,3,4-tetrazol-1-ium-1-yl)pentan-2-one Openeye Name: 4-methyl-4-(4-phenyltetrazol-1-ium-1-yl)pentan-2-one CAS Name: 4-methyl-4-(4-phenyl-1-tetrazol-1-iumyl)-2-pentanone IUPAC Name: 4-methyl-4-(4-phenyltetrazol-1-ium-1-yl)pentan-2-one Traditional Name: 4-methyl-4-(4-phenyltetrazol-1-ium-1-yl)pentan-2-one Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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