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1-hexadecylpyridin-1-ium; hexadecyl(trimethyl)azanium; dibromide

1-hexadecylpyridin-1-ium; hexadecyl(trimethyl)azanium; dibromide

Systemtic Name:1-hexadecylpyridin-1-ium; hexadecyl(trimethyl)azanium; dibromide
Openeye Name:1-hexadecylpyridin-1-ium; hexadecyl(trimethyl)ammonium; dibromide
CAS Name:1-hexadecylpyridin-1-ium; hexadecyl(trimethyl)ammonium; dibromide
IUPAC Name:1-hexadecylpyridin-1-ium; hexadecyl(trimethyl)azanium; dibromide
Traditional Name:1-cetylpyridin-1-ium; cetyl(trimethyl)ammonium; dibromide
Formula: C40H80Br2N2
MolecularWeight: 748.8846
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H38N.C19H42N.2BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;/h15,17-18,20-21H,2-14,16,19H2,1H3;5-19H2,1-4H3;2*1H/q2*+1;;/p-2


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