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

Systemtic Name: 2-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2O)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2O)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C27H26N4O/c32-25-11-5-4-9-22(25)18-31-16-6-10-23(19-31)26-24(20-7-2-1-3-8-20)17-29-27(30-26)21-12-14-28-15-13-21/h1-5,7-9,11-15,17,23,32H,6,10,16,18-19H2/p+1/t23-/m0/s1