ethanedioic acid; 3-[4-(fluoranylmethyl)-1,3-dimethyl-pyrrolidin-2-yl]pyridine

Systemtic Name: ethanedioic acid; 3-[4-(fluoranylmethyl)-1,3-dimethyl-pyrrolidin-2-yl]pyridine Openeye Name: 3-[4-(fluoromethyl)-1,3-dimethyl-pyrrolidin-2-yl]pyridine; oxalic acid CAS Name: 3-[4-(fluoromethyl)-1,3-dimethyl-2-pyrrolidinyl]pyridine; oxalic acid IUPAC Name: 3-[4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine; oxalic acid Traditional Name: 3-[4-(fluoromethyl)-1,3-dimethyl-pyrrolidin-2-yl]pyridine; oxalic acid Formula: C14H19FN2O4 MolecularWeight: 298.310063

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CN(C1C2=CN=CC=C2)C)CF.C(=O)(C(=O)O)O

Isomeric SMILES

CC1C(CN(C1C2=CN=CC=C2)C)CF.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17FN2.C2H2O4/c1-9-11(6-13)8-15(2)12(9)10-4-3-5-14-7-10;3-1(4)2(5)6/h3-5,7,9,11-12H,6,8H2,1-2H3;(H,3,4)(H,5,6)