4-[[(3S)-3-[5-(2-fluorophenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-[[(3S)-3-[5-(2-fluorophenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-[5-(2-fluorophenyl)-2-(3-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-3-[5-(2-fluorophenyl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-3-[5-(2-fluorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-[5-(2-fluorophenyl)-2-(3-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C27H26FN4O+ MolecularWeight: 441.519943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)O)C3=NC(=NC=C3C4=CC=CC=C4F)C5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)O)C3=NC(=NC=C3C4=CC=CC=C4F)C5=CN=CC=C5

InChI

InChI=1S/C27H25FN4O/c28-25-8-2-1-7-23(25)24-16-30-27(20-5-3-13-29-15-20)31-26(24)21-6-4-14-32(18-21)17-19-9-11-22(33)12-10-19/h1-3,5,7-13,15-16,21,33H,4,6,14,17-18H2/p+1/t21-/m0/s1