[3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] ethanoate chloride

Systemtic Name: [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] ethanoate chloride Openeye Name: [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] acetate chloride CAS Name: acetic acid [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] ester chloride IUPAC Name: [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] acetate chloride Traditional Name: acetic acid [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] ester chloride Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(CCCC(C2)[NH+]1C)C3=CC(=CC=C3)OC(=O)C.[Cl-]

Isomeric SMILES

CC1C2(CCCC(C2)[NH+]1C)C3=CC(=CC=C3)OC(=O)C.[Cl-]

InChI

InChI=1S/C17H23NO2.ClH/c1-12-17(9-5-7-15(11-17)18(12)3)14-6-4-8-16(10-14)20-13(2)19;/h4,6,8,10,12,15H,5,7,9,11H2,1-3H3;1H