[(2R,4S,5S)-2,5-dimethylpiperidin-1-ium-4-yl] benzoate

Systemtic Name: [(2R,4S,5S)-2,5-dimethylpiperidin-1-ium-4-yl] benzoate Openeye Name: [(2R,4S,5S)-2,5-dimethylpiperidin-1-ium-4-yl] benzoate CAS Name: benzoic acid [(2R,4S,5S)-2,5-dimethyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2R,4S,5S)-2,5-dimethylpiperidin-1-ium-4-yl] benzoate Traditional Name: benzoic acid [(2R,4S,5S)-2,5-dimethylpiperidin-1-ium-4-yl] ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH2+]1)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H](C[NH2+]1)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c1-10-9-15-11(2)8-13(10)17-14(16)12-6-4-3-5-7-12/h3-7,10-11,13,15H,8-9H2,1-2H3/p+1/t10-,11+,13-/m0/s1