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

Systemtic Name: 1-(1-phenacyl-3-phenyl-1,2,3,4-tetrazol-1-ium-5-yl)propan-2-one tetrafluoroborate Openeye Name: 1-(1-phenacyl-3-phenyl-tetrazol-1-ium-5-yl)propan-2-one tetrafluoroborate CAS Name: 1-(1-phenacyl-3-phenyl-5-tetrazol-1-iumyl)-2-propanone tetrafluoroborate IUPAC Name: 1-(1-phenacyl-3-phenyltetrazol-1-ium-5-yl)propan-2-one tetrafluoroborate Traditional Name: 1-(1-phenacyl-3-phenyl-tetrazol-1-ium-5-yl)acetone tetrafluoroborate Formula: C18H17BF4N4O2 MolecularWeight: 408.157793

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)CC1=NN(N=[N+]1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)CC1=NN(N=[N+]1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N4O2.BF4/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;2-1(3,4)5/h2-11H,12-13H2,1H3;/q+1;-1