2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]ethanol; tetraphenylboranuide

Systemtic Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]ethanol; tetraphenylboranuide Openeye Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]ethanol; tetraphenylboranuide CAS Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-pyridin-1-iumyl]ethanol; tetraphenylboranuide IUPAC Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]ethanol; tetraphenylboranuide Traditional Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]ethanol; tetraphenylboranuide Formula: C41H41BN2O MolecularWeight: 588.58804

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.CN(C)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCO

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CN(C)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCO

InChI

InChI=1S/C24H20B.C17H21N2O/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;1-18(2)17-7-5-15(6-8-17)3-4-16-9-11-19(12-10-16)13-14-20/h1-20H;3-12,20H,13-14H2,1-2H3/q-1;+1