2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-bromophenyl)propan-1-one

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-bromophenyl)propan-1-one Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-bromophenyl)propan-1-one CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-bromophenyl)-1-propanone IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-bromophenyl)propan-1-one Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-bromophenyl)propan-1-one Formula: C16H13BrNOS+ MolecularWeight: 347.24952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrNOS/c1-11(16(19)12-6-8-13(17)9-7-12)18-10-20-15-5-3-2-4-14(15)18/h2-11H,1H3/q+1