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

Systemtic Name: methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)quinolin-1-ium-1-yl]pentanoate Openeye Name: methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)quinolin-1-ium-1-yl]pentanoate CAS Name: 5-[2-cyclopentyl-3-[[(octadecylamino)-oxomethoxy]methyl]-1-quinolin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-cyclopentyl-3-(octadecylcarbamoyloxymethyl)quinolin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-cyclopentyl-3-(stearylcarbamoyloxymethyl)quinolin-1-ium-1-yl]valeric acid methyl ester Formula: C40H65N2O4+ MolecularWeight: 637.9551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=CC2=CC=CC=C2[N+](=C1C3CCCC3)CCCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=CC2=CC=CC=C2[N+](=C1C3CCCC3)CCCCC(=O)OC

InChI

InChI=1S/C40H64N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-30-41-40(44)46-33-36-32-35-27-20-21-28-37(35)42(31-24-22-29-38(43)45-2)39(36)34-25-18-19-26-34/h20-21,27-28,32,34H,3-19,22-26,29-31,33H2,1-2H3/p+1