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

Systemtic Name: methyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3S,5S)-3,5-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2/c1-12-8-13(2)10-17(9-12)11-14-4-6-15(7-5-14)16(18)19-3/h4-7,12-13H,8-11H2,1-3H3/p+1/t12-,13-/m0/s1