3-(2,4-dimethylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol chloride

Systemtic Name: 3-(2,4-dimethylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol chloride Openeye Name: 3-(2,4-dimethylphenyl)quinuclidin-1-ium-3-ol chloride CAS Name: 3-(2,4-dimethylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol chloride IUPAC Name: 3-(2,4-dimethylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol chloride Traditional Name: 3-(2,4-dimethylphenyl)quinuclidin-1-ium-3-ol chloride Formula: C15H22ClNO MolecularWeight: 267.79428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2(C[NH+]3CCC2CC3)O)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2(C[NH+]3CCC2CC3)O)C.[Cl-]

InChI

InChI=1S/C15H21NO.ClH/c1-11-3-4-14(12(2)9-11)15(17)10-16-7-5-13(15)6-8-16;/h3-4,9,13,17H,5-8,10H2,1-2H3;1H