3-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoic acid bromide

Systemtic Name: 3-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoic acid bromide Openeye Name: 3-[(3-allyl-4-phenyl-thiazol-3-ium-2-yl)amino]benzoic acid bromide CAS Name: 3-[(4-phenyl-3-prop-2-enyl-2-thiazol-3-iumyl)amino]benzoic acid bromide IUPAC Name: 3-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoic acid bromide Traditional Name: 3-[(3-allyl-4-phenyl-thiazol-3-ium-2-yl)amino]benzoic acid bromide Formula: C19H17BrN2O2S MolecularWeight: 417.31948

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O.[Br-]

Isomeric SMILES

C=CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O.[Br-]

InChI

InChI=1S/C19H16N2O2S.BrH/c1-2-11-21-17(14-7-4-3-5-8-14)13-24-19(21)20-16-10-6-9-15(12-16)18(22)23;/h2-10,12-13H,1,11H2,(H,22,23);1H