(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (5-fluoro-2-pyrazol-1-yl-phenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [5-fluoro-2-(1-pyrazolyl)phenyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (5-fluoro-2-pyrazol-1-ylphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (5-fluoro-2-pyrazol-1-yl-benzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C19H22FN6+ MolecularWeight: 353.416583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C19H21FN6/c20-16-5-6-18(26-11-3-9-24-26)15(12-16)13-23-17-4-1-10-25(14-17)19-21-7-2-8-22-19/h2-3,5-9,11-12,17,23H,1,4,10,13-14H2/p+1/t17-/m0/s1