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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-prop-2-enylpyridin-1-ium-4-yl)propan-1-one Openeye Name: 3-(1-allylpyridin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)propan-1-one CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-prop-2-enyl-4-pyridin-1-iumyl)-1-propanone IUPAC Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-(1-prop-2-enylpyridin-1-ium-4-yl)propan-1-one Traditional Name: 3-(1-allylpyridin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)propan-1-one Formula: C21H22NO3S+ MolecularWeight: 368.46928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC=C)OC

InChI

InChI=1S/C21H22NO3S/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/h4,7-8,10-14H,1,5-6,9H2,2-3H3/q+1