methyl 6-[2-(2-hexadecoxy-2-methyl-oxetan-3-yl)-1,3-thiazol-3-ium-3-yl]hexanoate bromide

Systemtic Name: methyl 6-[2-(2-hexadecoxy-2-methyl-oxetan-3-yl)-1,3-thiazol-3-ium-3-yl]hexanoate bromide Openeye Name: methyl 6-[2-(2-hexadecoxy-2-methyl-oxetan-3-yl)thiazol-3-ium-3-yl]hexanoate bromide CAS Name: 6-[2-(2-hexadecoxy-2-methyl-3-oxetanyl)-3-thiazol-3-iumyl]hexanoic acid methyl ester bromide IUPAC Name: methyl 6-[2-(2-hexadecoxy-2-methyloxetan-3-yl)-1,3-thiazol-3-ium-3-yl]hexanoate bromide Traditional Name: 6-[2-(2-cetyloxy-2-methyl-oxetan-3-yl)thiazol-3-ium-3-yl]hexanoic acid methyl ester bromide Formula: C30H54BrNO4S MolecularWeight: 604.72306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1(C(CO1)C2=[N+](C=CS2)CCCCCC(=O)OC)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1(C(CO1)C2=[N+](C=CS2)CCCCCC(=O)OC)C.[Br-]

InChI

InChI=1S/C30H54NO4S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-34-30(2)27(26-35-30)29-31(23-25-36-29)22-19-17-18-21-28(32)33-3;/h23,25,27H,4-22,24,26H2,1-3H3;1H/q+1;/p-1