[(4S)-2,2-dimethyl-1-(phenylmethyl)piperidin-1-ium-4-yl] benzoate

Systemtic Name: [(4S)-2,2-dimethyl-1-(phenylmethyl)piperidin-1-ium-4-yl] benzoate Openeye Name: [(4S)-1-benzyl-2,2-dimethyl-piperidin-1-ium-4-yl] benzoate CAS Name: benzoic acid [(4S)-2,2-dimethyl-1-(phenylmethyl)-4-piperidin-1-iumyl] ester IUPAC Name: [(4S)-1-benzyl-2,2-dimethylpiperidin-1-ium-4-yl] benzoate Traditional Name: benzoic acid [(4S)-1-benzyl-2,2-dimethyl-piperidin-1-ium-4-yl] ester Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC[NH+]1CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@H](CC[NH+]1CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25NO2/c1-21(2)15-19(24-20(23)18-11-7-4-8-12-18)13-14-22(21)16-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3/p+1/t19-/m0/s1