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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]propan-1-one bromide Openeye Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)propan-1-one bromide CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-1-propanone bromide IUPAC Name: 3-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-1-(5,6-dimethoxy-1-benzothiophen-2-yl)propan-1-one bromide Traditional Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)propan-1-one bromide Formula: C26H32BrNO3S MolecularWeight: 518.50618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32NO3S.BrH/c1-27(18-20-7-5-4-6-8-20)13-11-19(12-14-27)9-10-22(28)26-16-21-15-23(29-2)24(30-3)17-25(21)31-26;/h4-8,15-17,19H,9-14,18H2,1-3H3;1H/q+1;/p-1