2-[2-[(4-chlorophenyl)amino]-4-phenyl-1,3-thiazol-3-ium-5-yl]ethanoic acid bromide

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-4-phenyl-1,3-thiazol-3-ium-5-yl]ethanoic acid bromide Openeye Name: 2-[2-(4-chloroanilino)-4-phenyl-thiazol-3-ium-5-yl]acetic acid bromide CAS Name: 2-[2-(4-chloroanilino)-4-phenyl-5-thiazol-3-iumyl]acetic acid bromide IUPAC Name: 2-[2-(4-chloroanilino)-4-phenyl-1,3-thiazol-3-ium-5-yl]acetic acid bromide Traditional Name: 2-[2-(4-chloroanilino)-4-phenyl-thiazol-3-ium-5-yl]acetic acid bromide Formula: C17H14BrClN2O2S MolecularWeight: 425.72726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=[NH+]2)NC3=CC=C(C=C3)Cl)CC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=[NH+]2)NC3=CC=C(C=C3)Cl)CC(=O)O.[Br-]

InChI

InChI=1S/C17H13ClN2O2S.BrH/c18-12-6-8-13(9-7-12)19-17-20-16(11-4-2-1-3-5-11)14(23-17)10-15(21)22;/h1-9H,10H2,(H,19,20)(H,21,22);1H