(2,4-dimethylpyridin-1-ium-1-yl) ethanoate; tetraphenylboranuide

Systemtic Name: (2,4-dimethylpyridin-1-ium-1-yl) ethanoate; tetraphenylboranuide Openeye Name: (2,4-dimethylpyridin-1-ium-1-yl) acetate; tetraphenylboranuide CAS Name: acetic acid (2,4-dimethyl-1-pyridin-1-iumyl) ester; tetraphenylboranuide IUPAC Name: (2,4-dimethylpyridin-1-ium-1-yl) acetate; tetraphenylboranuide Traditional Name: acetic acid (2,4-dimethylpyridin-1-ium-1-yl) 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.CC1=CC(=[N+](C=C1)OC(=O)C)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC(=[N+](C=C1)OC(=O)C)C

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;1-7-4-5-10(8(2)6-7)12-9(3)11/h1-20H;4-6H,1-3H3/q-1;+1