2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(3-methyl-1-adamantyl)ethanoate bromide

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(3-methyl-1-adamantyl)ethanoate bromide Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 2-(3-methyl-1-adamantyl)acetate bromide CAS Name: 2-(3-methyl-1-adamantyl)acetic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester bromide IUPAC Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(3-methyl-1-adamantyl)acetate bromide Traditional Name: 2-(3-methyl-1-adamantyl)acetic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester bromide Formula: C27H34BrNO3S MolecularWeight: 532.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)CC34CC5CC(C3)CC(C5)(C4)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)CC34CC5CC(C3)CC(C5)(C4)C.[Br-]

InChI

InChI=1S/C27H34NO3S.BrH/c1-19-24(32-18-28(19)16-23(29)22-6-4-3-5-7-22)8-9-31-25(30)15-27-13-20-10-21(14-27)12-26(2,11-20)17-27;/h3-7,18,20-21H,8-17H2,1-2H3;1H/q+1;/p-1