2-(octadecylcarbamoyloxymethyl)prop-2-enyl 7-(1,3-thiazol-3-ium-3-yl)heptanoate bromide

Systemtic Name: 2-(octadecylcarbamoyloxymethyl)prop-2-enyl 7-(1,3-thiazol-3-ium-3-yl)heptanoate bromide Openeye Name: 2-(octadecylcarbamoyloxymethyl)allyl 7-thiazol-3-ium-3-ylheptanoate bromide CAS Name: 7-(3-thiazol-3-iumyl)heptanoic acid 2-[[(octadecylamino)-oxomethoxy]methyl]prop-2-enyl ester bromide IUPAC Name: 2-(octadecylcarbamoyloxymethyl)prop-2-enyl 7-(1,3-thiazol-3-ium-3-yl)heptanoate bromide Traditional Name: 7-thiazol-3-ium-3-ylenanthic acid 2-(stearylcarbamoyloxymethyl)allyl ester bromide Formula: C33H59BrN2O4S MolecularWeight: 659.80156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C)COC(=O)CCCCCC[N+]1=CSC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C)COC(=O)CCCCCC[N+]1=CSC=C1.[Br-]

InChI

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