2-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-methyladamantane-1-carboxylate

Systemtic Name: 2-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-methyladamantane-1-carboxylate Openeye Name: 2-[3-[2-(4-bromophenyl)-2-oxo-ethyl]-4-methyl-thiazol-3-ium-5-yl]ethyl 3-methyladamantane-1-carboxylate CAS Name: 3-methyl-1-adamantanecarboxylic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-methyladamantane-1-carboxylate Traditional Name: 3-methyladamantane-1-carboxylic acid 2-[3-[2-(4-bromophenyl)-2-keto-ethyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C26H31BrNO3S+ MolecularWeight: 517.49824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrNO3S/c1-17-23(32-16-28(17)14-22(29)20-3-5-21(27)6-4-20)7-8-31-24(30)26-12-18-9-19(13-26)11-25(2,10-18)15-26/h3-6,16,18-19H,7-15H2,1-2H3/q+1