[(2R,6S)-1,2,6-trimethylpiperidin-1-ium-4-yl] benzoate

Systemtic Name: [(2R,6S)-1,2,6-trimethylpiperidin-1-ium-4-yl] benzoate Openeye Name: [(2R,6S)-1,2,6-trimethylpiperidin-1-ium-4-yl] benzoate CAS Name: benzoic acid [(2R,6S)-1,2,6-trimethyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2R,6S)-1,2,6-trimethylpiperidin-1-ium-4-yl] benzoate Traditional Name: benzoic acid [(2R,6S)-1,2,6-trimethylpiperidin-1-ium-4-yl] ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-11-9-14(10-12(2)16(11)3)18-15(17)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/p+1/t11-,12+,14?