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

Systemtic Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide Openeye Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide CAS Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-propanone bromide IUPAC Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide Traditional Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide Formula: C16H18BrNOS MolecularWeight: 352.28922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NOS.BrH/c1-12(16(18)13-7-3-2-4-8-13)17-11-19-15-10-6-5-9-14(15)17;/h2-4,7-8,11-12H,5-6,9-10H2,1H3;1H/q+1;/p-1