2-pyridin-1-ium-1-ylethyl benzoate; tetraphenylboranuide

Systemtic Name: 2-pyridin-1-ium-1-ylethyl benzoate; tetraphenylboranuide Openeye Name: 2-pyridin-1-ium-1-ylethyl benzoate; tetraphenylboranuide CAS Name: benzoic acid 2-(1-pyridin-1-iumyl)ethyl ester; tetraphenylboranuide IUPAC Name: 2-pyridin-1-ium-1-ylethyl benzoate; tetraphenylboranuide Traditional Name: benzoic acid 2-pyridin-1-ium-1-ylethyl ester; tetraphenylboranuide Formula: C38H34BNO2 MolecularWeight: 547.49306

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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.C1=CC=C(C=C1)C(=O)OCC[N+]2=CC=CC=C2

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)C(=O)OCC[N+]2=CC=CC=C2

InChI

InChI=1S/C24H20B.C14H14NO2/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;16-14(13-7-3-1-4-8-13)17-12-11-15-9-5-2-6-10-15/h1-20H;1-10H,11-12H2/q-1;+1