[(9S)-4-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanyl] ethanoate

Systemtic Name: [(9S)-4-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanyl] ethanoate Openeye Name: [(9S)-4-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanyl] acetate CAS Name: acetic acid [(9S)-4-(1-methyl-1-piperidin-1-iumyl)-9-bicyclo[3.3.1]nonanyl] ester IUPAC Name: [(9S)-4-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanyl] acetate Traditional Name: acetic acid [(9S)-4-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanyl] ester Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2CCCC1C(CC2)[N+]3(CCCCC3)C

Isomeric SMILES

CC(=O)O[C@H]1C2CCCC1C(CC2)[N+]3(CCCCC3)C

InChI

InChI=1S/C17H30NO2/c1-13(19)20-17-14-7-6-8-15(17)16(10-9-14)18(2)11-4-3-5-12-18/h14-17H,3-12H2,1-2H3/q+1/t14?,15?,16?,17-/m0/s1