[1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 5-pyridin-1-ium-1-ylpentanoate bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COC(=O)CCCC[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COC(=O)CCCC[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C36H62N2O4.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-37-35(40)42-33-36(26-19-20-27-36)32-41-34(39)25-18-24-31-38-29-22-17-23-30-38;/h17,22-23,29-30H,2-16,18-21,24-28,31-33H2,1H3;1H