ethanedioate; methyl 4-[ethanoyl-[(2-fluorophenyl)methoxy]amino]-1-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethanedioate; methyl 4-[ethanoyl-[(2-fluorophenyl)methoxy]amino]-1-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-[acetyl-[(2-fluorophenyl)methoxy]amino]-1-phenethyl-piperidin-1-ium-4-carboxylate; oxalate CAS Name: 4-[acetyl-[(2-fluorophenyl)methoxy]amino]-1-phenethyl-4-piperidin-1-iumcarboxylic acid methyl ester; oxalate IUPAC Name: methyl 4-[acetyl-[(2-fluorophenyl)methoxy]amino]-1-phenethylpiperidin-1-ium-4-carboxylate; oxalate Traditional Name: 4-[acetyl-(2-fluorobenzyl)oxy-amino]-1-phenethyl-piperidin-1-ium-4-carboxylic acid methyl ester; oxalate Formula: C50H60F2N4O12 MolecularWeight: 947.027806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3F.CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3F.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3F.CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3F.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C24H29FN2O4.C2H2O4/c2*1-19(28)27(31-18-21-10-6-7-11-22(21)25)24(23(29)30-2)13-16-26(17-14-24)15-12-20-8-4-3-5-9-20;3-1(4)2(5)6/h2*3-11H,12-18H2,1-2H3;(H,3,4)(H,5,6)