1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-methylpyridin-1-ium-4-yl)propan-1-one bromide

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-methylpyridin-1-ium-4-yl)propan-1-one bromide Openeye Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-(1-methylpyridin-1-ium-4-yl)propan-1-one bromide CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-methyl-4-pyridin-1-iumyl)-1-propanone bromide IUPAC Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-methylpyridin-1-ium-4-yl)propan-1-one bromide Traditional Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-(1-methylpyridin-1-ium-4-yl)propan-1-one bromide Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CCC(=O)C2=CC3=CC(=C(C=C3S2)OC)OC.[Br-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CCC(=O)C2=CC3=CC(=C(C=C3S2)OC)OC.[Br-]

InChI

InChI=1S/C19H20NO3S.BrH/c1-20-8-6-13(7-9-20)4-5-15(21)19-11-14-10-16(22-2)17(23-3)12-18(14)24-19;/h6-12H,4-5H2,1-3H3;1H/q+1;/p-1