4-chloranyl-2-fluoranyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]benzamide

Systemtic Name: 4-chloranyl-2-fluoranyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]benzamide Openeye Name: 4-chloro-2-fluoro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]benzamide CAS Name: 4-chloro-2-fluoro-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]benzamide IUPAC Name: 4-chloro-2-fluoro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]benzamide Traditional Name: 4-chloro-2-fluoro-N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]benzamide Formula: C18H22ClFN5O+ MolecularWeight: 378.851583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)C2=C(C=C(C=C2)Cl)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)C2=C(C=C(C=C2)Cl)F)C3=NC=CC=N3

InChI

InChI=1S/C18H21ClFN5O/c19-14-3-4-15(16(20)13-14)17(26)21-7-2-8-24-9-11-25(12-10-24)18-22-5-1-6-23-18/h1,3-6,13H,2,7-12H2,(H,21,26)/p+1