4-[(3R)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[(3R)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[(3R)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-phenyl-2-(4-pyridyl)pyrimidine CAS Name: 4-[(3R)-1-[(3-fluorophenyl)methyl]-3-piperidin-1-iumyl]-5-phenyl-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[(3R)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine Traditional Name: 4-[(3R)-1-(3-fluorobenzyl)piperidin-1-ium-3-yl]-5-phenyl-2-(4-pyridyl)pyrimidine Formula: C27H26FN4+ MolecularWeight: 425.520543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)F)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC(=CC=C2)F)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C27H25FN4/c28-24-10-4-6-20(16-24)18-32-15-5-9-23(19-32)26-25(21-7-2-1-3-8-21)17-30-27(31-26)22-11-13-29-14-12-22/h1-4,6-8,10-14,16-17,23H,5,9,15,18-19H2/p+1/t23-/m1/s1