1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-azetidin-1-ium bromide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-azetidin-1-ium bromide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-azetidin-1-ium bromide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylazetidin-1-ium bromide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylazetidin-1-ium bromide Traditional Name: 1-homoveratryl-1-methyl-azetidin-1-ium bromide Formula: C14H22BrNO2 MolecularWeight: 316.23398

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC1)CCC2=CC(=C(C=C2)OC)OC.[Br-]

Isomeric SMILES

C[N+]1(CCC1)CCC2=CC(=C(C=C2)OC)OC.[Br-]

InChI

InChI=1S/C14H22NO2.BrH/c1-15(8-4-9-15)10-7-12-5-6-13(16-2)14(11-12)17-3;/h5-6,11H,4,7-10H2,1-3H3;1H/q+1;/p-1