(4-chloranyl-2-methyl-pyrazol-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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