4-(2-cyanoethoxycarbonyl)-4-fluoranyl-1-(4-fluorophenyl)piperidin-1-ium-1-carboxylic acid

Systemtic Name: 4-(2-cyanoethoxycarbonyl)-4-fluoranyl-1-(4-fluorophenyl)piperidin-1-ium-1-carboxylic acid Openeye Name: 4-(2-cyanoethoxycarbonyl)-4-fluoro-1-(4-fluorophenyl)piperidin-1-ium-1-carboxylic acid CAS Name: 4-[2-cyanoethoxy(oxo)methyl]-4-fluoro-1-(4-fluorophenyl)-1-piperidin-1-iumcarboxylic acid IUPAC Name: 4-(2-cyanoethoxycarbonyl)-4-fluoro-1-(4-fluorophenyl)piperidin-1-ium-1-carboxylic acid Traditional Name: 4-(2-cyanoethoxycarbonyl)-4-fluoro-1-(4-fluorophenyl)piperidin-1-ium-1-carboxylic acid Formula: C16H17F2N2O4+ MolecularWeight: 339.313986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1(C(=O)OCCC#N)F)(C2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1C[N+](CCC1(C(=O)OCCC#N)F)(C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H16F2N2O4/c17-12-2-4-13(5-3-12)20(15(22)23)9-6-16(18,7-10-20)14(21)24-11-1-8-19/h2-5H,1,6-7,9-11H2/p+1