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

Systemtic Name: [1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 5-quinolin-1-ium-1-ylpentanoate bromide Openeye Name: [1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 5-quinolin-1-ium-1-ylpentanoate bromide CAS Name: 5-(1-quinolin-1-iumyl)pentanoic acid [1-[[(octadecylamino)-oxomethoxy]methyl]cyclopentyl]methyl ester bromide IUPAC Name: [1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 5-quinolin-1-ium-1-ylpentanoate bromide Traditional Name: 5-quinolin-1-ium-1-ylvaleric acid [1-(stearylcarbamoyloxymethyl)cyclopentyl]methyl ester bromide Formula: C40H65BrN2O4 MolecularWeight: 717.8591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COC(=O)CCCC[N+]2=CC=CC3=CC=CC=C32.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COC(=O)CCCC[N+]2=CC=CC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C40H64N2O4.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-41-39(44)46-35-40(29-20-21-30-40)34-45-38(43)28-19-23-32-42-33-24-26-36-25-17-18-27-37(36)42;/h17-18,24-27,33H,2-16,19-23,28-32,34-35H2,1H3;1H