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

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

C1C[NH+](CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)CC5=CC=CC=C5O

Isomeric SMILES

C1C[NH+](CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)CC5=CC=CC=C5O

InChI

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