2-pyridin-1-ium-1-ylethyl naphthalene-2-carboxylate; tetraphenylboranuide

Systemtic Name: 2-pyridin-1-ium-1-ylethyl naphthalene-2-carboxylate; tetraphenylboranuide Openeye Name: 2-pyridin-1-ium-1-ylethyl naphthalene-2-carboxylate; tetraphenylboranuide CAS Name: 2-naphthalenecarboxylic acid 2-(1-pyridin-1-iumyl)ethyl ester; tetraphenylboranuide IUPAC Name: 2-pyridin-1-ium-1-ylethyl naphthalene-2-carboxylate; tetraphenylboranuide Traditional Name: naphthalene-2-carboxylic acid 2-pyridin-1-ium-1-ylethyl ester; tetraphenylboranuide Formula: C42H36BNO2 MolecularWeight: 597.55174

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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=[N+](C=C1)CCOC(=O)C2=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=[N+](C=C1)CCOC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H20B.C18H16NO2/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;20-18(21-13-12-19-10-4-1-5-11-19)17-9-8-15-6-2-3-7-16(15)14-17/h1-20H;1-11,14H,12-13H2/q-1;+1