(1,1-dimethylpiperidin-1-ium-4-yl) (2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C21H32NO3+ MolecularWeight: 346.48368

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)[C@@](C2CCCCC2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H32NO3/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,18-19,24H,4,7-8,11-16H2,1-2H3/q+1/t21-/m0/s1