[(3S,5R)-1,5-dimethyl-3-phenyl-piperidin-1-ium-3-yl] ethanoate

Systemtic Name: [(3S,5R)-1,5-dimethyl-3-phenyl-piperidin-1-ium-3-yl] ethanoate Openeye Name: [(3S,5R)-1,5-dimethyl-3-phenyl-piperidin-1-ium-3-yl] acetate CAS Name: acetic acid [(3S,5R)-1,5-dimethyl-3-phenyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S,5R)-1,5-dimethyl-3-phenylpiperidin-1-ium-3-yl] acetate Traditional Name: acetic acid [(3S,5R)-1,5-dimethyl-3-phenyl-piperidin-1-ium-3-yl] ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C)(C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

C[C@@H]1C[C@@](C[NH+](C1)C)(C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C15H21NO2/c1-12-9-15(18-13(2)17,11-16(3)10-12)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3/p+1/t12-,15-/m1/s1