4-pyridin-1-ium-1-ylbutyl propanoate; tetraphenylboranuide

Systemtic Name: 4-pyridin-1-ium-1-ylbutyl propanoate; tetraphenylboranuide Openeye Name: 4-pyridin-1-ium-1-ylbutyl propanoate; tetraphenylboranuide CAS Name: propanoic acid 4-(1-pyridin-1-iumyl)butyl ester; tetraphenylboranuide IUPAC Name: 4-pyridin-1-ium-1-ylbutyl propanoate; tetraphenylboranuide Traditional Name: propionic acid 4-pyridin-1-ium-1-ylbutyl ester; tetraphenylboranuide Formula: C36H38BNO2 MolecularWeight: 527.50342

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20B.C12H18NO2/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;1-2-12(14)15-11-7-6-10-13-8-4-3-5-9-13/h1-20H;3-5,8-9H,2,6-7,10-11H2,1H3/q-1;+1