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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-(phenylmethyl)pyridin-1-ium-4-yl]propan-1-one Openeye Name: 3-(1-benzylpyridin-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-(phenylmethyl)-4-pyridin-1-iumyl]-1-propanone IUPAC Name: 3-(1-benzylpyridin-1-ium-4-yl)-1-(5,6-dimethoxy-1-benzothiophen-2-yl)propan-1-one Traditional Name: 3-(1-benzylpyridin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)propan-1-one Formula: C25H24NO3S+ MolecularWeight: 418.52796

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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=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H24NO3S/c1-28-22-14-20-15-25(30-24(20)16-23(22)29-2)21(27)9-8-18-10-12-26(13-11-18)17-19-6-4-3-5-7-19/h3-7,10-16H,8-9,17H2,1-2H3/q+1