2-fluoranyl-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 2-fluoro-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide CAS Name: 2-fluoro-N-[(2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 2-fluoro-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]benzamide Traditional Name: 2-fluoro-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide Formula: C24H25F2N4O+ MolecularWeight: 423.478306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C2=CC=CC=C2F)C3=CN=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNC(=O)C2=CC=CC=C2F)C3=CN=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24F2N4O/c25-19-7-9-20(10-8-19)29-12-14-30(15-13-29)23(18-4-3-11-27-16-18)17-28-24(31)21-5-1-2-6-22(21)26/h1-11,16,23H,12-15,17H2,(H,28,31)/p+1/t23-/m1/s1