1-(3,4-dimethoxyphenyl)-2-(1-methylazocan-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(1-methylazocan-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(1-methylazocan-1-ium-1-yl)ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(1-methyl-1-azocan-1-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(1-methylazocan-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(1-methylazocan-1-ium-1-yl)ethanone bromide Formula: C18H28BrNO3 MolecularWeight: 386.32382

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCCC1)CC(=O)C2=CC(=C(C=C2)OC)OC.[Br-]

Isomeric SMILES

C[N+]1(CCCCCCC1)CC(=O)C2=CC(=C(C=C2)OC)OC.[Br-]

InChI

InChI=1S/C18H28NO3.BrH/c1-19(11-7-5-4-6-8-12-19)14-16(20)15-9-10-17(21-2)18(13-15)22-3;/h9-10,13H,4-8,11-12,14H2,1-3H3;1H/q+1;/p-1