(2S)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H23FN5O+ MolecularWeight: 392.449323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C22H22FN5O/c23-18-7-9-19(10-8-18)26-21(29)20(17-5-2-1-3-6-17)27-13-15-28(16-14-27)22-24-11-4-12-25-22/h1-12,20H,13-16H2,(H,26,29)/p+1/t20-/m0/s1