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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-3-oxidanyl-propan-1-one Openeye Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)-3-hydroxy-propan-1-one CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-hydroxy-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-hydroxypropan-1-one Traditional Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)-3-hydroxy-propan-1-one Formula: C26H32NO4S+ MolecularWeight: 454.60158

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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)O)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H32NO4S/c1-27(17-18-7-5-4-6-8-18)11-9-19(10-12-27)21(28)15-22(29)26-14-20-13-23(30-2)24(31-3)16-25(20)32-26/h4-8,13-14,16,19,21,28H,9-12,15,17H2,1-3H3/q+1