2-dodecanoyloxyethyl(triethyl)azanium; 2-pyridin-1-ium-1-ylethyl dodecanoate; dibromide

Systemtic Name: 2-dodecanoyloxyethyl(triethyl)azanium; 2-pyridin-1-ium-1-ylethyl dodecanoate; dibromide Openeye Name: 2-dodecanoyloxyethyl(triethyl)ammonium; 2-pyridin-1-ium-1-ylethyl dodecanoate; dibromide CAS Name: dodecanoic acid 2-(1-pyridin-1-iumyl)ethyl ester; triethyl-[2-(1-oxododecoxy)ethyl]ammonium; dibromide IUPAC Name: 2-dodecanoyloxyethyl(triethyl)azanium; 2-pyridin-1-ium-1-ylethyl dodecanoate; dibromide Traditional Name: lauric acid 2-pyridin-1-ium-1-ylethyl ester; triethyl(2-lauroyloxyethyl)ammonium; dibromide Formula: C39H74Br2N2O4 MolecularWeight: 794.82386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC[N+]1=CC=CC=C1.CCCCCCCCCCCC(=O)OCC[N+](CC)(CC)CC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC[N+]1=CC=CC=C1.CCCCCCCCCCCC(=O)OCC[N+](CC)(CC)CC.[Br-].[Br-]

InChI

InChI=1S/C20H42NO2.C19H32NO2.2BrH/c1-5-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21(6-2,7-3)8-4;1-2-3-4-5-6-7-8-9-11-14-19(21)22-18-17-20-15-12-10-13-16-20;;/h5-19H2,1-4H3;10,12-13,15-16H,2-9,11,14,17-18H2,1H3;2*1H/q2*+1;;/p-2