1-(2-methylphenyl)-2-pyridin-1-ium-4-yl-ethanone; tetraphenylboranuide

Systemtic Name: 1-(2-methylphenyl)-2-pyridin-1-ium-4-yl-ethanone; tetraphenylboranuide Openeye Name: 1-(o-tolyl)-2-pyridin-1-ium-4-yl-ethanone; tetraphenylboranuide CAS Name: 1-(2-methylphenyl)-2-(4-pyridin-1-iumyl)ethanone; tetraphenylboranuide IUPAC Name: 1-(2-methylphenyl)-2-pyridin-1-ium-4-ylethanone; tetraphenylboranuide Traditional Name: 1-(o-tolyl)-2-pyridin-1-ium-4-yl-ethanone; tetraphenylboranuide Formula: C38H34BNO MolecularWeight: 531.49366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC=CC=C1C(=O)CC2=CC=[NH+]C=C2

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC=CC=C1C(=O)CC2=CC=[NH+]C=C2

InChI

InChI=1S/C24H20B.C14H13NO/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;1-11-4-2-3-5-13(11)14(16)10-12-6-8-15-9-7-12/h1-20H;2-9H,10H2,1H3/q-1;/p+1