methyl 1-ethylpyridin-1-ium-4-carboxylate; tetraphenylboranuide

Systemtic Name: methyl 1-ethylpyridin-1-ium-4-carboxylate; tetraphenylboranuide Openeye Name: methyl 1-ethylpyridin-1-ium-4-carboxylate; tetraphenylboranuide CAS Name: 1-ethyl-4-pyridin-1-iumcarboxylic acid methyl ester; tetraphenylboranuide IUPAC Name: methyl 1-ethylpyridin-1-ium-4-carboxylate; tetraphenylboranuide Traditional Name: 1-ethylpyridin-1-ium-4-carboxylic acid methyl 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[N+]1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

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

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