(phenylmethyl) isoquinolin-2-ium-2-carboxylate; tetraphenylboranuide

Systemtic Name: (phenylmethyl) isoquinolin-2-ium-2-carboxylate; tetraphenylboranuide Openeye Name: benzyl isoquinolin-2-ium-2-carboxylate; tetraphenylboranuide CAS Name: 2-isoquinolin-2-iumcarboxylic acid (phenylmethyl) ester; tetraphenylboranuide IUPAC Name: benzyl isoquinolin-2-ium-2-carboxylate; tetraphenylboranuide Traditional Name: isoquinolin-2-ium-2-carboxylic acid benzyl ester; tetraphenylboranuide Formula: C41H34BNO2 MolecularWeight: 583.52516

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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)COC(=O)[N+]2=CC3=CC=CC=C3C=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)COC(=O)[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H20B.C17H14NO2/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;19-17(20-13-14-6-2-1-3-7-14)18-11-10-15-8-4-5-9-16(15)12-18/h1-20H;1-12H,13H2/q-1;+1