2-(1,3-benzothiazol-3-ium-3-yl)-1-[4-(diethylamino)phenyl]ethanone bromide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-[4-(diethylamino)phenyl]ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-[4-(diethylamino)phenyl]ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-[4-(diethylamino)phenyl]ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-[4-(diethylamino)phenyl]ethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-[4-(diethylamino)phenyl]ethanone bromide Formula: C19H21BrN2OS MolecularWeight: 405.35184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C19H21N2OS.BrH/c1-3-20(4-2)16-11-9-15(10-12-16)18(22)13-21-14-23-19-8-6-5-7-17(19)21;/h5-12,14H,3-4,13H2,1-2H3;1H/q+1;/p-1