ethanedioate; N-(2-fluorophenyl)-N-(2-phenethyl-4-pyridin-2-yl-piperidin-1-ium-4-yl)propanamide

Systemtic Name: ethanedioate; N-(2-fluorophenyl)-N-(2-phenethyl-4-pyridin-2-yl-piperidin-1-ium-4-yl)propanamide Openeye Name: N-(2-fluorophenyl)-N-[2-phenethyl-4-(2-pyridyl)piperidin-1-ium-4-yl]propanamide; oxalate CAS Name: N-(2-fluorophenyl)-N-[2-phenethyl-4-(2-pyridinyl)-4-piperidin-1-iumyl]propanamide; oxalate IUPAC Name: N-(2-fluorophenyl)-N-(2-phenethyl-4-pyridin-2-ylpiperidin-1-ium-4-yl)propanamide; oxalate Traditional Name: N-(2-fluorophenyl)-N-[2-phenethyl-4-(2-pyridyl)piperidin-1-ium-4-yl]propionamide; oxalate Formula: C56H62F2N6O6 MolecularWeight: 953.124886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1F)C2(CC[NH2+]C(C2)CCC3=CC=CC=C3)C4=CC=CC=N4.CCC(=O)N(C1=CC=CC=C1F)C2(CC[NH2+]C(C2)CCC3=CC=CC=C3)C4=CC=CC=N4.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1F)C2(CC[NH2+]C(C2)CCC3=CC=CC=C3)C4=CC=CC=N4.CCC(=O)N(C1=CC=CC=C1F)C2(CC[NH2+]C(C2)CCC3=CC=CC=C3)C4=CC=CC=N4.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C27H30FN3O.C2H2O4/c2*1-2-26(32)31(24-13-7-6-12-23(24)28)27(25-14-8-9-18-30-25)17-19-29-22(20-27)16-15-21-10-4-3-5-11-21;3-1(4)2(5)6/h2*3-14,18,22,29H,2,15-17,19-20H2,1H3;(H,3,4)(H,5,6)