1-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-2-one bromide

Systemtic Name: 1-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-2-one bromide Openeye Name: 1-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-2-one bromide CAS Name: 1-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-propanone bromide IUPAC Name: 1-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-2-one bromide Traditional Name: 1-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetone bromide Formula: C12H14BrNO2S MolecularWeight: 316.21406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=C(C=C2)OC)CC(=O)C.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=C(C=C2)OC)CC(=O)C.[Br-]

InChI

InChI=1S/C12H14NO2S.BrH/c1-8(14)7-13-9(2)16-12-6-10(15-3)4-5-11(12)13;/h4-6H,7H2,1-3H3;1H/q+1;/p-1