2-[2-(1-decylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl 2-methylpropanoate bromide

Systemtic Name: 2-[2-(1-decylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl 2-methylpropanoate bromide Openeye Name: 2-[2-(1-decylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl 2-methylpropanoate bromide CAS Name: 2-methylpropanoic acid 2-[[2-(1-decyl-2-pyridin-1-iumyl)ethylamino]-oxomethoxy]ethyl ester bromide IUPAC Name: 2-[2-(1-decylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl 2-methylpropanoate bromide Traditional Name: 2-methylpropionic acid 2-[2-(1-decylpyridin-1-ium-2-yl)ethylcarbamoyloxy]ethyl ester bromide Formula: C24H41BrN2O4 MolecularWeight: 501.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N2O4.BrH/c1-4-5-6-7-8-9-10-12-17-26-18-13-11-14-22(26)15-16-25-24(28)30-20-19-29-23(27)21(2)3;/h11,13-14,18,21H,4-10,12,15-17,19-20H2,1-3H3;1H