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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3/p+1/t11-,13+/m0/s1