ethanedioate; N-(2-fluorophenyl)-2-methoxy-N-(3-methyl-1-phenethyl-piperidin-1-ium-4-yl)propanamide

Systemtic Name: ethanedioate; N-(2-fluorophenyl)-2-methoxy-N-(3-methyl-1-phenethyl-piperidin-1-ium-4-yl)propanamide Openeye Name: N-(2-fluorophenyl)-2-methoxy-N-(3-methyl-1-phenethyl-piperidin-1-ium-4-yl)propanamide; oxalate CAS Name: N-(2-fluorophenyl)-2-methoxy-N-(3-methyl-1-phenethyl-4-piperidin-1-iumyl)propanamide; oxalate IUPAC Name: N-(2-fluorophenyl)-2-methoxy-N-(3-methyl-1-phenethylpiperidin-1-ium-4-yl)propanamide; oxalate Traditional Name: N-(2-fluorophenyl)-2-methoxy-N-(3-methyl-1-phenethyl-piperidin-1-ium-4-yl)propionamide; oxalate Formula: C50H64F2N4O8 MolecularWeight: 887.061966

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCC1N(C2=CC=CC=C2F)C(=O)C(C)OC)CCC3=CC=CC=C3.CC1C[NH+](CCC1N(C2=CC=CC=C2F)C(=O)C(C)OC)CCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1C[NH+](CCC1N(C2=CC=CC=C2F)C(=O)C(C)OC)CCC3=CC=CC=C3.CC1C[NH+](CCC1N(C2=CC=CC=C2F)C(=O)C(C)OC)CCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C24H31FN2O2.C2H2O4/c2*1-18-17-26(15-13-20-9-5-4-6-10-20)16-14-22(18)27(24(28)19(2)29-3)23-12-8-7-11-21(23)25;3-1(4)2(5)6/h2*4-12,18-19,22H,13-17H2,1-3H3;(H,3,4)(H,5,6)