2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 3-methyladamantane-1-carboxylate

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 3-methyladamantane-1-carboxylate Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 3-methyladamantane-1-carboxylate CAS Name: 3-methyl-1-adamantanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester IUPAC Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 3-methyladamantane-1-carboxylate Traditional Name: 3-methyladamantane-1-carboxylic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester Formula: C26H32NO3S+ MolecularWeight: 438.60218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C34CC5CC(C3)CC(C5)(C4)C

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C34CC5CC(C3)CC(C5)(C4)C

InChI

InChI=1S/C26H32NO3S/c1-18-23(31-17-27(18)15-22(28)21-6-4-3-5-7-21)8-9-30-24(29)26-13-19-10-20(14-26)12-25(2,11-19)16-26/h3-7,17,19-20H,8-16H2,1-2H3/q+1