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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-methoxy-3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]propan-1-one Openeye Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)-3-methoxy-propan-1-one CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-methoxy-3-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-methoxypropan-1-one Traditional Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)-3-methoxy-propan-1-one Formula: C27H34NO4S+ MolecularWeight: 468.62816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34NO4S/c1-28(18-19-8-6-5-7-9-19)12-10-20(11-13-28)23(30-2)16-22(29)27-15-21-14-24(31-3)25(32-4)17-26(21)33-27/h5-9,14-15,17,20,23H,10-13,16,18H2,1-4H3/q+1