dimethyl-(phenylmethyl)-tetradecyl-azanium; oxidanyl(4,4,4-triphenylbutoxy)borinate

Systemtic Name: dimethyl-(phenylmethyl)-tetradecyl-azanium; oxidanyl(4,4,4-triphenylbutoxy)borinate Openeye Name: benzyl-dimethyl-tetradecyl-ammonium; hydroxy(4,4,4-triphenylbutoxy)borinate CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium; hydroxy(4,4,4-triphenylbutoxy)borinate IUPAC Name: benzyl-dimethyl-tetradecylazanium; hydroxy(4,4,4-triphenylbutoxy)borinate Traditional Name: benzyl-dimethyl-myristyl-ammonium; hydroxy(4,4,4-triphenylbutoxy)borinate Formula: C45H64BNO3 MolecularWeight: 677.80556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(O)([O-])OCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

B(O)([O-])OCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C23H42N.C22H22BO3/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;24-23(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/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1-9,11-16,24H,10,17-18H2/q+1;-1