N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; tetraphenylboranuide

Systemtic Name: N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; tetraphenylboranuide Openeye Name: N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]aniline; tetraphenylboranuide CAS Name: N,N-diethyl-4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]aniline; tetraphenylboranuide IUPAC Name: N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; tetraphenylboranuide Traditional Name: diethyl-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]amine; tetraphenylboranuide Formula: C42H43BN2 MolecularWeight: 586.61522

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20B.C18H23N2/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;1-4-20(5-2)18-10-8-16(9-11-18)6-7-17-12-14-19(3)15-13-17/h1-20H;6-15H,4-5H2,1-3H3/q-1;+1