ethanedioate; N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-yl-piperidin-1-ium-4-yl]propanamide

Systemtic Name: ethanedioate; N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-yl-piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-(2-pyridyl)piperidin-1-ium-4-yl]propanamide; oxalate CAS Name: N-(2-fluorophenyl)-N-[1-[2-(1-pyrazolyl)ethyl]-4-(2-pyridinyl)-4-piperidin-1-iumyl]propanamide; oxalate IUPAC Name: N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-1-ium-4-yl]propanamide; oxalate Traditional Name: N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-(2-pyridyl)piperidin-1-ium-4-yl]propionamide; oxalate Formula: C50H58F2N10O6 MolecularWeight: 933.055726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1F)C2(CC[NH+](CC2)CCN3C=CC=N3)C4=CC=CC=N4.CCC(=O)N(C1=CC=CC=C1F)C2(CC[NH+](CC2)CCN3C=CC=N3)C4=CC=CC=N4.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1F)C2(CC[NH+](CC2)CCN3C=CC=N3)C4=CC=CC=N4.CCC(=O)N(C1=CC=CC=C1F)C2(CC[NH+](CC2)CCN3C=CC=N3)C4=CC=CC=N4.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C24H28FN5O.C2H2O4/c2*1-2-23(31)30(21-9-4-3-8-20(21)25)24(22-10-5-6-13-26-22)11-16-28(17-12-24)18-19-29-15-7-14-27-29;3-1(4)2(5)6/h2*3-10,13-15H,2,11-12,16-19H2,1H3;(H,3,4)(H,5,6)