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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-ethylpyridin-1-ium-4-yl)propan-1-one bromide Openeye Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-(1-ethylpyridin-1-ium-4-yl)propan-1-one bromide CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-ethyl-4-pyridin-1-iumyl)-1-propanone bromide IUPAC Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-ethylpyridin-1-ium-4-yl)propan-1-one bromide Traditional Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-(1-ethylpyridin-1-ium-4-yl)propan-1-one bromide Formula: C20H22BrNO3S MolecularWeight: 436.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22NO3S.BrH/c1-4-21-9-7-14(8-10-21)5-6-16(22)20-12-15-11-17(23-2)18(24-3)13-19(15)25-20;/h7-13H,4-6H2,1-3H3;1H/q+1;/p-1