1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]propan-1-one Openeye Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]propan-1-one CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-[(4-fluorophenyl)methyl]-4-pyridin-1-iumyl]-1-propanone IUPAC Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]propan-1-one Traditional Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-(4-fluorobenzyl)pyridin-1-ium-4-yl]propan-1-one Formula: C25H23FNO3S+ MolecularWeight: 436.518423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H23FNO3S/c1-29-22-13-19-14-25(31-24(19)15-23(22)30-2)21(28)8-5-17-9-11-27(12-10-17)16-18-3-6-20(26)7-4-18/h3-4,6-7,9-15H,5,8,16H2,1-2H3/q+1