1-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-ylidene]ethanone bromide

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-ylidene]ethanone bromide Openeye Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-ylidene)-1-(5,6-dimethoxybenzothiophen-2-yl)ethanone bromide CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumylidene]ethanone bromide IUPAC Name: 2-(1-benzyl-1-methylpiperidin-1-ium-4-ylidene)-1-(5,6-dimethoxy-1-benzothiophen-2-yl)ethanone bromide Traditional Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-ylidene)-1-(5,6-dimethoxybenzothiophen-2-yl)ethanone bromide Formula: C25H28BrNO3S MolecularWeight: 502.46372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28NO3S.BrH/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;/h4-8,13-16H,9-12,17H2,1-3H3;1H/q+1;/p-1