2-dodecanoyloxyethyl(triethyl)azanium; N-dodecyl-2-pyridin-1-ium-1-yl-ethanamide; 2-pyridin-1-ium-1-ylethyl dodecanoate; tributyl(2-dodecanoyloxyethyl)azanium; tetrabromide

Systemtic Name: 2-dodecanoyloxyethyl(triethyl)azanium; N-dodecyl-2-pyridin-1-ium-1-yl-ethanamide; 2-pyridin-1-ium-1-ylethyl dodecanoate; tributyl(2-dodecanoyloxyethyl)azanium; tetrabromide Openeye Name: 2-dodecanoyloxyethyl(triethyl)ammonium; N-dodecyl-2-pyridin-1-ium-1-yl-acetamide; 2-pyridin-1-ium-1-ylethyl dodecanoate; tributyl(2-dodecanoyloxyethyl)ammonium; tetrabromide CAS Name: dodecanoic acid 2-(1-pyridin-1-iumyl)ethyl ester; N-dodecyl-2-(1-pyridin-1-iumyl)acetamide; tributyl-[2-(1-oxododecoxy)ethyl]ammonium; triethyl-[2-(1-oxododecoxy)ethyl]ammonium; tetrabromide IUPAC Name: 2-dodecanoyloxyethyl(triethyl)azanium; N-dodecyl-2-pyridin-1-ium-1-ylacetamide; 2-pyridin-1-ium-1-ylethyl dodecanoate; tributyl(2-dodecanoyloxyethyl)azanium; tetrabromide Traditional Name: lauric acid 2-pyridin-1-ium-1-ylethyl ester; N-lauryl-2-pyridin-1-ium-1-yl-acetamide; tributyl(2-lauroyloxyethyl)ammonium; triethyl(2-lauroyloxyethyl)ammonium; tetrabromide Formula: C84H161Br4N5O7 MolecularWeight: 1672.82244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54NO2.C20H42NO2.C19H32N2O.C19H32NO2.4BrH/c1-5-9-13-14-15-16-17-18-19-20-26(28)29-25-24-27(21-10-6-2,22-11-7-3)23-12-8-4;1-5-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21(6-2,7-3)8-4;1-2-3-4-5-6-7-8-9-10-12-15-20-19(22)18-21-16-13-11-14-17-21;1-2-3-4-5-6-7-8-9-11-14-19(21)22-18-17-20-15-12-10-13-16-20;;;;/h5-25H2,1-4H3;5-19H2,1-4H3;11,13-14,16-17H,2-10,12,15,18H2,1H3;10,12-13,15-16H,2-9,11,14,17-18H2,1H3;4*1H/q2*+1;;+1;;;;/p-3