[2-(3,5-dimethylpyrazol-1-yl)-5-fluoranyl-phenyl]methyl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [2-(3,5-dimethylpyrazol-1-yl)-5-fluoranyl-phenyl]methyl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-phenyl]methyl-[(3R)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [2-(3,5-dimethyl-1-pyrazolyl)-5-fluorophenyl]methyl-[(3R)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-benzyl]-[(3R)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C21H26FN6+ MolecularWeight: 381.469743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=C(C=C2)F)C[NH2+]C3CCCN(C3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=C(C=C2)F)C[NH2+][C@@H]3CCCN(C3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H25FN6/c1-15-11-16(2)28(26-15)20-7-6-18(22)12-17(20)13-25-19-5-3-10-27(14-19)21-23-8-4-9-24-21/h4,6-9,11-12,19,25H,3,5,10,13-14H2,1-2H3/p+1/t19-/m1/s1