[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]azanium

Systemtic Name: [5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]azanium Openeye Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[[(3R)-1-pyrimidin-2-yl-3-piperidyl]methyl]ammonium CAS Name: [5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[[(3R)-1-(2-pyrimidinyl)-3-piperidinyl]methyl]ammonium IUPAC Name: [5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]azanium Traditional Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[[(3R)-1-(2-pyrimidyl)-3-piperidyl]methyl]ammonium Formula: C21H26FN6O+ MolecularWeight: 397.469143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH2+]CC3CCCN(C3)C4=NC=CC=N4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH2+]C[C@H]3CCCN(C3)C4=NC=CC=N4)F

InChI

InChI=1S/C21H25FN6O/c1-29-17-5-6-18(19(22)10-17)20-16(13-26-27-20)12-23-11-15-4-2-9-28(14-15)21-24-7-3-8-25-21/h3,5-8,10,13,15,23H,2,4,9,11-12,14H2,1H3,(H,26,27)/p+1/t15-/m1/s1