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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-[1-methyl-4-oxidanyl-1-(phenylmethyl)piperidin-1-ium-4-yl]ethanone Openeye Name: 2-(1-benzyl-4-hydroxy-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)ethanone CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-[4-hydroxy-1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]ethanone IUPAC Name: 2-(1-benzyl-4-hydroxy-1-methylpiperidin-1-ium-4-yl)-1-(5,6-dimethoxy-1-benzothiophen-2-yl)ethanone Traditional Name: 2-(1-benzyl-4-hydroxy-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)ethanone Formula: C25H30NO4S+ MolecularWeight: 440.575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30NO4S/c1-26(17-18-7-5-4-6-8-18)11-9-25(28,10-12-26)16-20(27)24-14-19-13-21(29-2)22(30-3)15-23(19)31-24/h4-8,13-15,28H,9-12,16-17H2,1-3H3/q+1