1-(2-methylphenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate

Systemtic Name: 1-(2-methylphenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate Openeye Name: 1-(o-tolyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate CAS Name: 1-(2-methylphenyl)-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)-3-buten-1-ol tetrafluoroborate IUPAC Name: 1-(2-methylphenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate Traditional Name: 1-(o-tolyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate Formula: C34H30BF4NO MolecularWeight: 555.412713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC=CC=C1C(C(C=C)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC=CC=C1C(C(C=C)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C34H30NO.BF4/c1-3-31(34(36)30-22-14-13-15-25(30)2)35-32(27-18-9-5-10-19-27)23-29(26-16-7-4-8-17-26)24-33(35)28-20-11-6-12-21-28;2-1(3,4)5/h3-24,31,34,36H,1H2,2H3;/q+1;-1