2,3-dimethylnonadecan-2-ylazanium; hexadecyl(trimethyl)azanium; dibromide

Systemtic Name: 2,3-dimethylnonadecan-2-ylazanium; hexadecyl(trimethyl)azanium; dibromide Openeye Name: hexadecyl(trimethyl)ammonium; 1,1,2-trimethyloctadecylammonium; dibromide CAS Name: 2,3-dimethylnonadecan-2-ylammonium; hexadecyl(trimethyl)ammonium; dibromide IUPAC Name: 2,3-dimethylnonadecan-2-ylazanium; hexadecyl(trimethyl)azanium; dibromide Traditional Name: cetyl(trimethyl)ammonium; 1,1,2-trimethyloctadecylammonium; dibromide Formula: C40H88Br2N2 MolecularWeight: 756.94812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C(C)(C)[NH3+].CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C(C)(C)[NH3+].CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]

InChI

InChI=1S/C21H45N.C19H42N.2BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(3,4)22;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;/h20H,5-19,22H2,1-4H3;5-19H2,1-4H3;2*1H/q;+1;;/p-1