N-[4-(4-bromophenyl)-3-methyl-1,3-thiazol-3-ium-2-yl]benzamide bromide

Systemtic Name: N-[4-(4-bromophenyl)-3-methyl-1,3-thiazol-3-ium-2-yl]benzamide bromide Openeye Name: N-[4-(4-bromophenyl)-3-methyl-thiazol-3-ium-2-yl]benzamide bromide CAS Name: N-[4-(4-bromophenyl)-3-methyl-2-thiazol-3-iumyl]benzamide bromide IUPAC Name: N-[4-(4-bromophenyl)-3-methyl-1,3-thiazol-3-ium-2-yl]benzamide bromide Traditional Name: N-[4-(4-bromophenyl)-3-methyl-thiazol-3-ium-2-yl]benzamide bromide Formula: C17H14Br2N2OS MolecularWeight: 454.17886

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H13BrN2OS.BrH/c1-20-15(12-7-9-14(18)10-8-12)11-22-17(20)19-16(21)13-5-3-2-4-6-13;/h2-11H,1H3;1H