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

Systemtic Name: 2-pyridin-1-ium-1-ylethyl ethanoate; tetraphenylboranuide Openeye Name: 2-pyridin-1-ium-1-ylethyl acetate; tetraphenylboranuide CAS Name: acetic acid 2-(1-pyridin-1-iumyl)ethyl ester; tetraphenylboranuide IUPAC Name: 2-pyridin-1-ium-1-ylethyl acetate; tetraphenylboranuide Traditional Name: acetic acid 2-pyridin-1-ium-1-ylethyl ester; tetraphenylboranuide Formula: C33H32BNO2 MolecularWeight: 485.42368

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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.CC(=O)OCC[N+]1=CC=CC=C1

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(=O)OCC[N+]1=CC=CC=C1

InChI

InChI=1S/C24H20B.C9H12NO2/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;1-9(11)12-8-7-10-5-3-2-4-6-10/h1-20H;2-6H,7-8H2,1H3/q-1;+1