1-hexadecylpyridin-1-ium; 2-methylnonadecan-2-ylazanium; dibromide

Systemtic Name: 1-hexadecylpyridin-1-ium; 2-methylnonadecan-2-ylazanium; dibromide Openeye Name: 1,1-dimethyloctadecylammonium; 1-hexadecylpyridin-1-ium; dibromide CAS Name: 1-hexadecylpyridin-1-ium; 2-methylnonadecan-2-ylammonium; dibromide IUPAC Name: 1-hexadecylpyridin-1-ium; 2-methylnonadecan-2-ylazanium; dibromide Traditional Name: 1-cetylpyridin-1-ium; 1,1-dimethyloctadecylammonium; dibromide Formula: C41H82Br2N2 MolecularWeight: 762.91118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)(C)[NH3+].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)(C)[NH3+].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-].[Br-]

InChI

InChI=1S/C21H38N.C20H43N.2BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)21;;/h15,17-18,20-21H,2-14,16,19H2,1H3;4-19,21H2,1-3H3;2*1H/q+1;;;/p-1