1-(4-bromophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide

Systemtic Name: 1-(4-bromophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide Openeye Name: 1-(4-bromophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide CAS Name: 1-(4-bromophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-propanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide Traditional Name: 1-(4-bromophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide Formula: C16H17Br2NOS MolecularWeight: 431.18528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)[N+]2=CSC3=C2CCCC3.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)[N+]2=CSC3=C2CCCC3.[Br-]

InChI

InChI=1S/C16H17BrNOS.BrH/c1-11(16(19)12-6-8-13(17)9-7-12)18-10-20-15-5-3-2-4-14(15)18;/h6-11H,2-5H2,1H3;1H/q+1;/p-1