2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl bicyclo[2.2.1]heptane-4-carboxylate bromide

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl bicyclo[2.2.1]heptane-4-carboxylate bromide Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl norbornane-1-carboxylate bromide CAS Name: 4-bicyclo[2.2.1]heptanecarboxylic 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 bicyclo[2.2.1]heptane-4-carboxylate bromide Traditional Name: norbornane-1-carboxylic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester bromide Formula: C22H26BrNO3S MolecularWeight: 464.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C34CCC(C3)CC4.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C34CCC(C3)CC4.[Br-]

InChI

InChI=1S/C22H26NO3S.BrH/c1-16-20(9-12-26-21(25)22-10-7-17(13-22)8-11-22)27-15-23(16)14-19(24)18-5-3-2-4-6-18;/h2-6,15,17H,7-14H2,1H3;1H/q+1;/p-1