2-[2-(1-dodecylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate bromide

Systemtic Name: 2-[2-(1-dodecylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate bromide Openeye Name: 2-[2-(1-dodecylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate bromide CAS Name: 2-methyl-2-propenoic acid 2-[[2-(1-dodecyl-2-pyridin-1-iumyl)ethylamino]-oxomethoxy]ethyl ester bromide IUPAC Name: 2-[2-(1-dodecylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate bromide Traditional Name: 2-methylacrylic acid 2-[2-(1-laurylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl ester bromide Formula: C26H43BrN2O4 MolecularWeight: 527.53462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1CCNC(=O)OCCOC(=O)C(=C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1CCNC(=O)OCCOC(=O)C(=C)C.[Br-]

InChI

InChI=1S/C26H42N2O4.BrH/c1-4-5-6-7-8-9-10-11-12-14-19-28-20-15-13-16-24(28)17-18-27-26(30)32-22-21-31-25(29)23(2)3;/h13,15-16,20H,2,4-12,14,17-19,21-22H2,1,3H3;1H