1-(3-phenacyl-1,3-thiazol-3-ium-2-yl)ethyl benzoate bromide

Systemtic Name: 1-(3-phenacyl-1,3-thiazol-3-ium-2-yl)ethyl benzoate bromide Openeye Name: 1-(3-phenacylthiazol-3-ium-2-yl)ethyl benzoate bromide CAS Name: benzoic acid 1-(3-phenacyl-2-thiazol-3-iumyl)ethyl ester bromide IUPAC Name: 1-(3-phenacyl-1,3-thiazol-3-ium-2-yl)ethyl benzoate bromide Traditional Name: benzoic acid 1-(3-phenacylthiazol-3-ium-2-yl)ethyl ester bromide Formula: C20H18BrNO3S MolecularWeight: 432.33082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=[N+](C=CS1)CC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C1=[N+](C=CS1)CC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H18NO3S.BrH/c1-15(24-20(23)17-10-6-3-7-11-17)19-21(12-13-25-19)14-18(22)16-8-4-2-5-9-16;/h2-13,15H,14H2,1H3;1H/q+1;/p-1