[(4S)-1,3,3-trimethyl-4-phenyl-piperidin-1-ium-4-yl] benzoate

Systemtic Name: [(4S)-1,3,3-trimethyl-4-phenyl-piperidin-1-ium-4-yl] benzoate Openeye Name: [(4S)-1,3,3-trimethyl-4-phenyl-piperidin-1-ium-4-yl] benzoate CAS Name: benzoic acid [(4S)-1,3,3-trimethyl-4-phenyl-4-piperidin-1-iumyl] ester IUPAC Name: [(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-yl] benzoate Traditional Name: benzoic acid [(4S)-1,3,3-trimethyl-4-phenyl-piperidin-1-ium-4-yl] ester Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](CCC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2/c1-20(2)16-22(3)15-14-21(20,18-12-8-5-9-13-18)24-19(23)17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3/p+1/t21-/m0/s1