(1,1-dimethylpiperidin-1-ium-4-yl) 2-[4,4-bis(fluoranyl)piperidin-1-yl]-2-phenyl-propanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-[4,4-bis(fluoranyl)piperidin-1-yl]-2-phenyl-propanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4,4-difluoro-1-piperidyl)-2-phenyl-propanoate CAS Name: 2-(4,4-difluoro-1-piperidinyl)-2-phenylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4,4-difluoropiperidin-1-yl)-2-phenylpropanoate Traditional Name: 2-(4,4-difluoropiperidino)-2-phenyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C21H31F2N2O2+ MolecularWeight: 381.479846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCC(CC3)(F)F

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCC(CC3)(F)F

InChI

InChI=1S/C21H31F2N2O2/c1-20(17-7-5-4-6-8-17,24-13-11-21(22,23)12-14-24)19(26)27-18-9-15-25(2,3)16-10-18/h4-8,18H,9-16H2,1-3H3/q+1