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

Systemtic Name: [1-(octadecylcarbamoyloxymethyl)cyclobutyl]methyl 5-(1,3-thiazol-3-ium-3-yl)pentanoate Openeye Name: [1-(octadecylcarbamoyloxymethyl)cyclobutyl]methyl 5-thiazol-3-ium-3-ylpentanoate CAS Name: 5-(3-thiazol-3-iumyl)pentanoic acid [1-[[(octadecylamino)-oxomethoxy]methyl]cyclobutyl]methyl ester IUPAC Name: [1-(octadecylcarbamoyloxymethyl)cyclobutyl]methyl 5-(1,3-thiazol-3-ium-3-yl)pentanoate Traditional Name: 5-thiazol-3-ium-3-ylvaleric acid [1-(stearylcarbamoyloxymethyl)cyclobutyl]methyl ester Formula: C33H59N2O4S+ MolecularWeight: 579.89756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCC1)COC(=O)CCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCC1)COC(=O)CCCC[N+]2=CSC=C2

InChI

InChI=1S/C33H58N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-24-34-32(37)39-29-33(22-20-23-33)28-38-31(36)21-17-19-25-35-26-27-40-30-35/h26-27,30H,2-25,28-29H2,1H3/p+1