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

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 4-methoxybenzoate bromide Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 4-methoxybenzoate bromide CAS Name: 4-methoxybenzoic 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 4-methoxybenzoate bromide Traditional Name: 4-methoxybenzoic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester bromide Formula: C22H22BrNO4S MolecularWeight: 476.38338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22NO4S.BrH/c1-16-21(12-13-27-22(25)18-8-10-19(26-2)11-9-18)28-15-23(16)14-20(24)17-6-4-3-5-7-17;/h3-11,15H,12-14H2,1-2H3;1H/q+1;/p-1