[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone

Systemtic Name: [4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Openeye Name: [4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone CAS Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Traditional Name: [4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Formula: C17H22FN4O2+ MolecularWeight: 333.380583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN4O2/c1-20-11-14(10-19-20)17(23)22-7-5-21(6-8-22)12-13-9-15(18)3-4-16(13)24-2/h3-4,9-11H,5-8,12H2,1-2H3/p+1