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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-propylpyridin-1-ium-4-yl)propan-1-one bromide Openeye Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-(1-propylpyridin-1-ium-4-yl)propan-1-one bromide CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-propyl-4-pyridin-1-iumyl)-1-propanone bromide IUPAC Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-propylpyridin-1-ium-4-yl)propan-1-one bromide Traditional Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-(1-propylpyridin-1-ium-4-yl)propan-1-one bromide Formula: C21H24BrNO3S MolecularWeight: 450.38916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24NO3S.BrH/c1-4-9-22-10-7-15(8-11-22)5-6-17(23)21-13-16-12-18(24-2)19(25-3)14-20(16)26-21;/h7-8,10-14H,4-6,9H2,1-3H3;1H/q+1;/p-1