[1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 5-(1,3-thiazol-3-ium-3-yl)pentanoate

Systemtic Name: [1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 5-(1,3-thiazol-3-ium-3-yl)pentanoate Openeye Name: [1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 5-thiazol-3-ium-3-ylpentanoate CAS Name: 5-(3-thiazol-3-iumyl)pentanoic acid [1-[[(octadecylamino)-oxomethoxy]methyl]cyclopentyl]methyl ester IUPAC Name: [1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 5-(1,3-thiazol-3-ium-3-yl)pentanoate Traditional Name: 5-thiazol-3-ium-3-ylvaleric acid [1-(stearylcarbamoyloxymethyl)cyclopentyl]methyl ester Formula: C34H61N2O4S+ MolecularWeight: 593.92414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COC(=O)CCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COC(=O)CCCC[N+]2=CSC=C2

InChI

InChI=1S/C34H60N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-35-33(38)40-30-34(23-18-19-24-34)29-39-32(37)22-17-21-26-36-27-28-41-31-36/h27-28,31H,2-26,29-30H2,1H3/p+1