methyl 5-[2-[1-(octadecylcarbamoyloxymethyl)cyclopentyl]-1,3-thiazol-3-ium-3-yl]pentanoate bromide

Systemtic Name: methyl 5-[2-[1-(octadecylcarbamoyloxymethyl)cyclopentyl]-1,3-thiazol-3-ium-3-yl]pentanoate bromide Openeye Name: methyl 5-[2-[1-(octadecylcarbamoyloxymethyl)cyclopentyl]thiazol-3-ium-3-yl]pentanoate bromide CAS Name: 5-[2-[1-[[(octadecylamino)-oxomethoxy]methyl]cyclopentyl]-3-thiazol-3-iumyl]pentanoic acid methyl ester bromide IUPAC Name: methyl 5-[2-[1-(octadecylcarbamoyloxymethyl)cyclopentyl]-1,3-thiazol-3-ium-3-yl]pentanoate bromide Traditional Name: 5-[2-[1-(stearylcarbamoyloxymethyl)cyclopentyl]thiazol-3-ium-3-yl]valeric acid methyl ester bromide Formula: C34H61BrN2O4S MolecularWeight: 673.82814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)C2=[N+](C=CS2)CCCCC(=O)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)C2=[N+](C=CS2)CCCCC(=O)OC.[Br-]

InChI

InChI=1S/C34H60N2O4S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-35-33(38)40-30-34(24-19-20-25-34)32-36(28-29-41-32)27-22-18-23-31(37)39-2;/h28-29H,3-27,30H2,1-2H3;1H