4-[[3-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-yl]amino]benzoic acid bromide

Systemtic Name: 4-[[3-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-yl]amino]benzoic acid bromide Openeye Name: 4-[[3-ethyl-4-(4-methoxyphenyl)thiazol-3-ium-2-yl]amino]benzoic acid bromide CAS Name: 4-[[3-ethyl-4-(4-methoxyphenyl)-2-thiazol-3-iumyl]amino]benzoic acid bromide IUPAC Name: 4-[[3-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-yl]amino]benzoic acid bromide Traditional Name: 4-[[3-ethyl-4-(4-methoxyphenyl)thiazol-3-ium-2-yl]amino]benzoic acid bromide Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S.BrH/c1-3-21-17(13-6-10-16(24-2)11-7-13)12-25-19(21)20-15-8-4-14(5-9-15)18(22)23;/h4-12H,3H2,1-2H3,(H,22,23);1H