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

Systemtic Name: 1-(3-methyl-1-phenacyl-1,2,3,4-tetrazol-1-ium-5-yl)propan-2-one tetrafluoroborate Openeye Name: 1-(3-methyl-1-phenacyl-tetrazol-1-ium-5-yl)propan-2-one tetrafluoroborate CAS Name: 1-(3-methyl-1-phenacyl-5-tetrazol-1-iumyl)-2-propanone tetrafluoroborate IUPAC Name: 1-(3-methyl-1-phenacyltetrazol-1-ium-5-yl)propan-2-one tetrafluoroborate Traditional Name: 1-(3-methyl-1-phenacyl-tetrazol-1-ium-5-yl)acetone tetrafluoroborate Formula: C13H15BF4N4O2 MolecularWeight: 346.088413

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C13H15N4O2.BF4/c1-10(18)8-13-14-16(2)15-17(13)9-12(19)11-6-4-3-5-7-11;2-1(3,4)5/h3-7H,8-9H2,1-2H3;/q+1;-1