ethyl 4-cyclohexyl-1-(2-phenylpyrrolidin-1-ium-3-yl)carbonyl-piperidine-4-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: ethyl 4-cyclohexyl-1-(2-phenylpyrrolidin-1-ium-3-yl)carbonyl-piperidine-4-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: ethyl 4-cyclohexyl-1-(2-phenylpyrrolidin-1-ium-3-carbonyl)piperidine-4-carboxylate; 2,2,2-trifluoroacetate CAS Name: 4-cyclohexyl-1-[oxo-(2-phenyl-3-pyrrolidin-1-iumyl)methyl]-4-piperidinecarboxylic acid ethyl ester; 2,2,2-trifluoroacetate IUPAC Name: ethyl 4-cyclohexyl-1-(2-phenylpyrrolidin-1-ium-3-carbonyl)piperidine-4-carboxylate; 2,2,2-trifluoroacetate Traditional Name: 4-cyclohexyl-1-(2-phenylpyrrolidin-1-ium-3-carbonyl)isonipecotic acid ethyl ester; 2,2,2-trifluoroacetate Formula: C27H37F3N2O5 MolecularWeight: 526.58829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2CC[NH2+]C2C3=CC=CC=C3)C4CCCCC4.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2CC[NH2+]C2C3=CC=CC=C3)C4CCCCC4.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C25H36N2O3.C2HF3O2/c1-2-30-24(29)25(20-11-7-4-8-12-20)14-17-27(18-15-25)23(28)21-13-16-26-22(21)19-9-5-3-6-10-19;3-2(4,5)1(6)7/h3,5-6,9-10,20-22,26H,2,4,7-8,11-18H2,1H3;(H,6,7)