methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)pyridin-1-ium-1-yl]pentanoate bromide

Systemtic Name: methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)pyridin-1-ium-1-yl]pentanoate bromide Openeye Name: methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)pyridin-1-ium-1-yl]pentanoate bromide CAS Name: 5-[2-cyclopentyl-3-[[(octadecylamino)-oxomethoxy]methyl]-1-pyridin-1-iumyl]pentanoic acid methyl ester bromide IUPAC Name: methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)pyridin-1-ium-1-yl]pentanoate bromide Traditional Name: 5-[2-cyclopentyl-3-(stearylcarbamoyloxymethyl)pyridin-1-ium-1-yl]valeric acid methyl ester bromide Formula: C36H63BrN2O4 MolecularWeight: 667.80042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=C([N+](=CC=C1)CCCCC(=O)OC)C2CCCC2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=C([N+](=CC=C1)CCCCC(=O)OC)C2CCCC2.[Br-]

InChI

InChI=1S/C36H62N2O4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-37-36(40)42-31-33-26-23-30-38(29-22-20-27-34(39)41-2)35(33)32-24-18-19-25-32;/h23,26,30,32H,3-22,24-25,27-29,31H2,1-2H3;1H