4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylphenyl)methyl]piperidin-1-ium

Systemtic Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylphenyl)methyl]piperidin-1-ium Openeye Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-(m-tolylmethyl)piperidin-1-ium CAS Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylphenyl)methyl]piperidin-1-ium IUPAC Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylphenyl)methyl]piperidin-1-ium Traditional Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-methylbenzyl)piperidin-1-ium Formula: C22H25FN3+ MolecularWeight: 350.452403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN3/c1-16-4-2-5-17(12-16)15-26-10-8-18(9-11-26)22-21(14-24-25-22)19-6-3-7-20(23)13-19/h2-7,12-14,18H,8-11,15H2,1H3,(H,24,25)/p+1