1-(1-phenacyl-3-phenyl-1,2,3,4-tetrazol-1-ium-5-yl)propan-2-one

Systemtic Name: 1-(1-phenacyl-3-phenyl-1,2,3,4-tetrazol-1-ium-5-yl)propan-2-one Openeye Name: 1-(1-phenacyl-3-phenyl-tetrazol-1-ium-5-yl)propan-2-one CAS Name: 1-(1-phenacyl-3-phenyl-5-tetrazol-1-iumyl)-2-propanone IUPAC Name: 1-(1-phenacyl-3-phenyltetrazol-1-ium-5-yl)propan-2-one Traditional Name: 1-(1-phenacyl-3-phenyl-tetrazol-1-ium-5-yl)acetone Formula: C18H17N4O2+ MolecularWeight: 321.35318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN(N=[N+]1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CC1=NN(N=[N+]1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N4O2/c1-14(23)12-18-19-22(16-10-6-3-7-11-16)20-21(18)13-17(24)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3/q+1