[3-(octadecylcarbamoyloxymethyl)thietan-3-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate

Systemtic Name: [3-(octadecylcarbamoyloxymethyl)thietan-3-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Openeye Name: [3-(octadecylcarbamoyloxymethyl)thietan-3-yl]methyl 6-thiazol-3-ium-3-ylhexanoate CAS Name: 6-(3-thiazol-3-iumyl)hexanoic acid [3-[[(octadecylamino)-oxomethoxy]methyl]-3-thietanyl]methyl ester IUPAC Name: [3-(octadecylcarbamoyloxymethyl)thietan-3-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Traditional Name: 6-thiazol-3-ium-3-ylhexanoic acid [3-(stearylcarbamoyloxymethyl)thietan-3-yl]methyl ester Formula: C33H59N2O4S2+ MolecularWeight: 611.96256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CSC1)COC(=O)CCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CSC1)COC(=O)CCCCC[N+]2=CSC=C2

InChI

InChI=1S/C33H58N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-32(37)39-27-33(28-41-29-33)26-38-31(36)21-18-17-20-23-35-24-25-40-30-35/h24-25,30H,2-23,26-29H2,1H3/p+1