4-[4-(4-methoxyphenyl)-1,2,3,4-tetrazol-1-ium-1-yl]-4-methyl-pentan-2-one

Systemtic Name: 4-[4-(4-methoxyphenyl)-1,2,3,4-tetrazol-1-ium-1-yl]-4-methyl-pentan-2-one Openeye Name: 4-[4-(4-methoxyphenyl)tetrazol-1-ium-1-yl]-4-methyl-pentan-2-one CAS Name: 4-[4-(4-methoxyphenyl)-1-tetrazol-1-iumyl]-4-methyl-2-pentanone IUPAC Name: 4-[4-(4-methoxyphenyl)tetrazol-1-ium-1-yl]-4-methylpentan-2-one Traditional Name: 4-[4-(4-methoxyphenyl)tetrazol-1-ium-1-yl]-4-methyl-pentan-2-one Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N4O2/c1-11(19)9-14(2,3)18-10-17(15-16-18)12-5-7-13(20-4)8-6-12/h5-8,10H,9H2,1-4H3/q+1