1-azoniabicyclo[2.2.2]octan-3-yl-(4-propan-2-ylphenyl)methanone chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl-(4-propan-2-ylphenyl)methanone chloride Openeye Name: (4-isopropylphenyl)-quinuclidin-1-ium-3-yl-methanone chloride CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl-(4-propan-2-ylphenyl)methanone chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl-(4-propan-2-ylphenyl)methanone chloride Traditional Name: p-cumenyl(quinuclidin-1-ium-3-yl)methanone chloride Formula: C17H24ClNO MolecularWeight: 293.83156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C2C[NH+]3CCC2CC3.[Cl-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C2C[NH+]3CCC2CC3.[Cl-]

InChI

InChI=1S/C17H23NO.ClH/c1-12(2)13-3-5-15(6-4-13)17(19)16-11-18-9-7-14(16)8-10-18;/h3-6,12,14,16H,7-11H2,1-2H3;1H