N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(1-methyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H21FN5O2+ MolecularWeight: 346.379343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN5O2/c1-21-11-13(10-19-21)17(25)23-8-6-22(7-9-23)12-16(24)20-15-4-2-14(18)3-5-15/h2-5,10-11H,6-9,12H2,1H3,(H,20,24)/p+1