2-[(3,4-dimethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one chloride

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one chloride Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]quinuclidin-1-ium-3-one chloride CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one chloride IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one chloride Traditional Name: 2-veratrylquinuclidin-1-ium-3-one chloride Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C(=O)C3CC[NH+]2CC3)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C(=O)C3CC[NH+]2CC3)OC.[Cl-]

InChI

InChI=1S/C16H21NO3.ClH/c1-19-14-4-3-11(10-15(14)20-2)9-13-16(18)12-5-7-17(13)8-6-12;/h3-4,10,12-13H,5-9H2,1-2H3;1H