2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3,4-dimethoxyphenyl)ethanone Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]23CCN(CC2)CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]23CCN(CC2)CC3)OC

InChI

InChI=1S/C16H23N2O3/c1-20-15-4-3-13(11-16(15)21-2)14(19)12-18-8-5-17(6-9-18)7-10-18/h3-4,11H,5-10,12H2,1-2H3/q+1