methyl 4-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

C[C@@H]1CCC[C@H]([NH+]1CC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C16H23NO2/c1-12-5-4-6-13(2)17(12)11-14-7-9-15(10-8-14)16(18)19-3/h7-10,12-13H,4-6,11H2,1-3H3/p+1/t12-,13-/m1/s1