4-[4-(3-chlorophenyl)-4-pyrrolidin-1-ium-1-ylcarbonyl-piperidin-1-ium-1-yl]-4-fluoranyl-1-phenyl-butan-1-one; ethanedioate

Systemtic Name: 4-[4-(3-chlorophenyl)-4-pyrrolidin-1-ium-1-ylcarbonyl-piperidin-1-ium-1-yl]-4-fluoranyl-1-phenyl-butan-1-one; ethanedioate Openeye Name: 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenyl-butan-1-one; oxalate CAS Name: 4-[4-(3-chlorophenyl)-4-[oxo(1-pyrrolidin-1-iumyl)methyl]-1-piperidin-1-iumyl]-4-fluoro-1-phenyl-1-butanone; oxalate IUPAC Name: 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenylbutan-1-one; oxalate Traditional Name: 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenyl-butan-1-one; oxalate Formula: C28H32ClFN2O6 MolecularWeight: 547.014883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(=O)C2(CC[NH+](CC2)C(CCC(=O)C3=CC=CC=C3)F)C4=CC(=CC=C4)Cl.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CC[NH+](C1)C(=O)C2(CC[NH+](CC2)C(CCC(=O)C3=CC=CC=C3)F)C4=CC(=CC=C4)Cl.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C26H30ClFN2O2.C2H2O4/c27-22-10-6-9-21(19-22)26(25(32)30-15-4-5-16-30)13-17-29(18-14-26)24(28)12-11-23(31)20-7-2-1-3-8-20;3-1(4)2(5)6/h1-3,6-10,19,24H,4-5,11-18H2;(H,3,4)(H,5,6)