3-bromanylpropyl(trimethyl)azanium; oxidanyl(4,4,4-triphenylbutoxy)borinate

Systemtic Name: 3-bromanylpropyl(trimethyl)azanium; oxidanyl(4,4,4-triphenylbutoxy)borinate Openeye Name: 3-bromopropyl(trimethyl)ammonium; hydroxy(4,4,4-triphenylbutoxy)borinate CAS Name: 3-bromopropyl(trimethyl)ammonium; hydroxy(4,4,4-triphenylbutoxy)borinate IUPAC Name: 3-bromopropyl(trimethyl)azanium; hydroxy(4,4,4-triphenylbutoxy)borinate Traditional Name: 3-bromopropyl(trimethyl)ammonium; hydroxy(4,4,4-triphenylbutoxy)borinate Formula: C28H37BBrNO3 MolecularWeight: 526.31328

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Descriptors Computed from Structure

Canonical SMILES:

B(O)([O-])OCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C[N+](C)(C)CCCBr

Isomeric SMILES

B(O)([O-])OCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C[N+](C)(C)CCCBr

InChI

InChI=1S/C22H22BO3.C6H15BrN/c24-23(25)26-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;1-8(2,3)6-4-5-7/h1-9,11-16,24H,10,17-18H2;4-6H2,1-3H3/q-1;+1