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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-(2-methoxyethyl)-1-methyl-piperidin-1-ium-4-yl]propan-1-one bromide Openeye Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-(2-methoxyethyl)-1-methyl-piperidin-1-ium-4-yl]propan-1-one bromide CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-(2-methoxyethyl)-1-methyl-4-piperidin-1-iumyl]-1-propanone bromide IUPAC Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-(2-methoxyethyl)-1-methylpiperidin-1-ium-4-yl]propan-1-one bromide Traditional Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-(2-methoxyethyl)-1-methyl-piperidin-1-ium-4-yl]propan-1-one bromide Formula: C22H32BrNO4S MolecularWeight: 486.46278

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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)CCOC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H32NO4S.BrH/c1-23(11-12-25-2)9-7-16(8-10-23)5-6-18(24)22-14-17-13-19(26-3)20(27-4)15-21(17)28-22;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1