4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C15H21NO2/c1-11-7-12(2)9-16(8-11)10-13-3-5-14(6-4-13)15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)/t11-,12-/m1/s1