[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(2-methyl-3-pyrazolyl)methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Formula: C16H19ClFN4O+ MolecularWeight: 337.799663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H18ClFN4O/c1-20-15(4-5-19-20)16(23)22-8-6-21(7-9-22)11-12-2-3-13(18)10-14(12)17/h2-5,10H,6-9,11H2,1H3/p+1