methyl 2-[4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-oxidanylidene-propyl]-1-methyl-piperidin-1-ium-1-yl]ethanoate bromide

Systemtic Name: methyl 2-[4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-oxidanylidene-propyl]-1-methyl-piperidin-1-ium-1-yl]ethanoate bromide Openeye Name: methyl 2-[4-[3-(5,6-dimethoxybenzothiophen-2-yl)-3-oxo-propyl]-1-methyl-piperidin-1-ium-1-yl]acetate bromide CAS Name: 2-[4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-oxopropyl]-1-methyl-1-piperidin-1-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-oxopropyl]-1-methylpiperidin-1-ium-1-yl]acetate bromide Traditional Name: 2-[4-[3-(5,6-dimethoxybenzothiophen-2-yl)-3-keto-propyl]-1-methyl-piperidin-1-ium-1-yl]acetic acid methyl ester bromide Formula: C22H30BrNO5S MolecularWeight: 500.4463

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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)CC(=O)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H30NO5S.BrH/c1-23(14-22(25)28-4)9-7-15(8-10-23)5-6-17(24)21-12-16-11-18(26-2)19(27-3)13-20(16)29-21;/h11-13,15H,5-10,14H2,1-4H3;1H/q+1;/p-1