[[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-benzothiazol-2-ylidene]amino]methylidene-dimethyl-azanium bromide

Systemtic Name: [[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-benzothiazol-2-ylidene]amino]methylidene-dimethyl-azanium bromide Openeye Name: [[3-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-benzothiazol-2-ylidene]amino]methylene-dimethyl-ammonium bromide CAS Name: [[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]amino]methylidene-dimethylammonium bromide IUPAC Name: [[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]amino]methylidene-dimethylazanium bromide Traditional Name: [[3-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-benzothiazol-2-ylidene]amino]methylene-dimethyl-ammonium bromide Formula: C18H17Br2N3OS MolecularWeight: 483.22008

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CN=C1N(C2=CC=CC=C2S1)CC(=O)C3=CC=C(C=C3)Br)C.[Br-]

Isomeric SMILES

C[N+](=CN=C1N(C2=CC=CC=C2S1)CC(=O)C3=CC=C(C=C3)Br)C.[Br-]

InChI

InChI=1S/C18H17BrN3OS.BrH/c1-21(2)12-20-18-22(15-5-3-4-6-17(15)24-18)11-16(23)13-7-9-14(19)10-8-13;/h3-10,12H,11H2,1-2H3;1H/q+1;/p-1