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

Systemtic Name: 2-[4-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Openeye Name: 2-[4-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenoxy]ethanol CAS Name: 2-[4-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidin-1-iumyl]methyl]phenoxy]ethanol IUPAC Name: 2-[4-[[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Traditional Name: 2-[4-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O2/c34-17-18-35-26-10-8-22(9-11-26)20-33-16-4-7-25(21-33)28-27(23-5-2-1-3-6-23)19-31-29(32-28)24-12-14-30-15-13-24/h1-3,5-6,8-15,19,25,34H,4,7,16-18,20-21H2/p+1/t25-/m0/s1