1-(2-methyl-1,2,3,4-tetrazol-1-ium-1-yl)propan-2-one; tetraphenylboranuide

Systemtic Name: 1-(2-methyl-1,2,3,4-tetrazol-1-ium-1-yl)propan-2-one; tetraphenylboranuide Openeye Name: 1-(2-methyltetrazol-1-ium-1-yl)propan-2-one; tetraphenylboranuide CAS Name: 1-(2-methyl-1-tetrazol-1-iumyl)-2-propanone; tetraphenylboranuide IUPAC Name: 1-(2-methyltetrazol-1-ium-1-yl)propan-2-one; tetraphenylboranuide Traditional Name: 1-(2-methyltetrazol-1-ium-1-yl)acetone; tetraphenylboranuide Formula: C29H29BN4O MolecularWeight: 460.37776

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(=O)C[N+]1=CN=NN1C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(=O)C[N+]1=CN=NN1C

InChI

InChI=1S/C24H20B.C5H9N4O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5(10)3-9-4-6-7-8(9)2/h1-20H;4H,3H2,1-2H3/q-1;+1