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

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(1-adamantyl)ethanoate bromide Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 2-(1-adamantyl)acetate bromide CAS Name: 2-(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-(1-adamantyl)acetate bromide Traditional Name: 2-(1-adamantyl)acetic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester bromide Formula: C26H32BrNO3S MolecularWeight: 518.50618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32NO3S.BrH/c1-18-24(31-17-27(18)16-23(28)22-5-3-2-4-6-22)7-8-30-25(29)15-26-12-19-9-20(13-26)11-21(10-19)14-26;/h2-6,17,19-21H,7-16H2,1H3;1H/q+1;/p-1