[4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate

Systemtic Name: [4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Openeye Name: [4-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl 6-thiazol-3-ium-3-ylhexanoate CAS Name: 6-(3-thiazol-3-iumyl)hexanoic acid [4-[[(heptadecylamino)-oxomethoxy]methyl]-2-oxolanyl]methyl ester IUPAC Name: [4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Traditional Name: 6-thiazol-3-ium-3-ylhexanoic acid [4-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C33H59N2O5S+ MolecularWeight: 595.89696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)COC(=O)CCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)COC(=O)CCCCC[N+]2=CSC=C2

InChI

InChI=1S/C33H58N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-33(37)40-27-30-25-31(38-26-30)28-39-32(36)20-17-16-19-22-35-23-24-41-29-35/h23-24,29-31H,2-22,25-28H2,1H3/p+1