dimethyl-octadecyl-[2-(phenylcarbonyloxy)ethyl]azanium; tetraphenylboranuide

Systemtic Name: dimethyl-octadecyl-[2-(phenylcarbonyloxy)ethyl]azanium; tetraphenylboranuide Openeye Name: 2-benzoyloxyethyl-dimethyl-octadecyl-ammonium; tetraphenylboranuide CAS Name: 2-benzoyloxyethyl-dimethyl-octadecylammonium; tetraphenylboranuide IUPAC Name: 2-benzoyloxyethyl-dimethyl-octadecylazanium; tetraphenylboranuide Traditional Name: 2-benzoyloxyethyl-dimethyl-stearyl-ammonium; tetraphenylboranuide Formula: C53H72BNO2 MolecularWeight: 765.95528

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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.CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO2.C24H20B/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(2,3)26-27-32-29(31)28-23-20-19-21-24-28;1-5-13-21(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/h19-21,23-24H,4-18,22,25-27H2,1-3H3;1-20H/q+1;-1