hexadecyl(trimethyl)azanium; 2-(2-octylphenyl)propan-2-ylazanium; dihydroxide

Systemtic Name: hexadecyl(trimethyl)azanium; 2-(2-octylphenyl)propan-2-ylazanium; dihydroxide Openeye Name: hexadecyl(trimethyl)ammonium; [1-methyl-1-(2-octylphenyl)ethyl]ammonium; dihydroxide CAS Name: hexadecyl(trimethyl)ammonium; 2-(2-octylphenyl)propan-2-ylammonium; dihydroxide IUPAC Name: hexadecyl(trimethyl)azanium; 2-(2-octylphenyl)propan-2-ylazanium; dihydroxide Traditional Name: cetyl(trimethyl)ammonium; [1-methyl-1-(2-octylphenyl)ethyl]ammonium; dihydroxide Formula: C36H74N2O2 MolecularWeight: 566.98496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[OH-].[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[OH-].[OH-]

InChI

InChI=1S/C19H42N.C17H29N.2H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17(2,3)18;;/h5-19H2,1-4H3;10-11,13-14H,4-9,12,18H2,1-3H3;2*1H2/q+1;;;/p-1