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

Systemtic Name: methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)pyridin-1-ium-1-yl]pentanoate Openeye Name: methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-cyclopentyl-3-[[(octadecylamino)-oxomethoxy]methyl]-1-pyridin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-cyclopentyl-3-(stearylcarbamoyloxymethyl)pyridin-1-ium-1-yl]valeric acid methyl ester Formula: C36H63N2O4+ MolecularWeight: 587.89642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H62N2O4/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/p+1