4-[(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)methyl]benzoic acid bromide

Systemtic Name: 4-[(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)methyl]benzoic acid bromide Openeye Name: 4-[(2-anilino-4-phenyl-thiazol-3-ium-3-yl)methyl]benzoic acid bromide CAS Name: 4-[(2-anilino-4-phenyl-3-thiazol-3-iumyl)methyl]benzoic acid bromide IUPAC Name: 4-[(2-anilino-4-phenyl-1,3-thiazol-3-ium-3-yl)methyl]benzoic acid bromide Traditional Name: 4-[(2-anilino-4-phenyl-thiazol-3-ium-3-yl)methyl]benzoic acid bromide Formula: C23H19BrN2O2S MolecularWeight: 467.37816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=C(C=C3)C(=O)O)NC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=C(C=C3)C(=O)O)NC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H18N2O2S.BrH/c26-22(27)19-13-11-17(12-14-19)15-25-21(18-7-3-1-4-8-18)16-28-23(25)24-20-9-5-2-6-10-20;/h1-14,16H,15H2,(H,26,27);1H