1-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-[1-methyl-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-ium-4-yl]ethanone

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-[1-methyl-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-ium-4-yl]ethanone Openeye Name: 2-(1-benzyl-1-methyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)ethanone CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-[1-methyl-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-ium-4-yl]ethanone IUPAC Name: 2-(1-benzyl-1-methyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)-1-(5,6-dimethoxy-1-benzothiophen-2-yl)ethanone Traditional Name: 2-(1-benzyl-1-methyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)ethanone Formula: C25H28NO3S+ MolecularWeight: 422.55972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=CC1)CC(=O)C2=CC3=CC(=C(C=C3S2)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(=CC1)CC(=O)C2=CC3=CC(=C(C=C3S2)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H28NO3S/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21(27)25-15-20-14-22(28-2)23(29-3)16-24(20)30-25/h4-9,14-16H,10-13,17H2,1-3H3/q+1