(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3,5-dimethylbenzoate chloride

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3,5-dimethylbenzoate chloride Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3,5-dimethylbenzoate chloride CAS Name: 3,5-dimethylbenzoic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride IUPAC Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3,5-dimethylbenzoate chloride Traditional Name: 3,5-dimethylbenzoic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2CC3CCC(C2)[NH+]3C)C.[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2CC3CCC(C2)[NH+]3C)C.[Cl-]

InChI

InChI=1S/C17H23NO2.ClH/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3;/h6-8,14-16H,4-5,9-10H2,1-3H3;1H