[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-phenyl-1H-pyrazol-5-yl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H23FN4O2/c1-29-21-8-7-16(13-18(21)23)15-26-9-11-27(12-10-26)22(28)20-14-19(24-25-20)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,25)/p+1