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

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2,2-diphenylethanoate bromide Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 2,2-diphenylacetate bromide CAS Name: 2,2-diphenylacetic 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 2,2-diphenylacetate bromide Traditional Name: 2,2-diphenylacetic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester bromide Formula: C28H26BrNO3S MolecularWeight: 536.47994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26NO3S.BrH/c1-21-26(33-20-29(21)19-25(30)22-11-5-2-6-12-22)17-18-32-28(31)27(23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-16,20,27H,17-19H2,1H3;1H/q+1;/p-1