2-methoxy-6-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-6-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-6-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-6-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-6-[[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-6-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCCC(C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC[C@@H](C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H28N4O2/c1-34-25-11-5-9-23(27(25)33)19-32-16-6-10-22(18-32)26-24(20-7-3-2-4-8-20)17-30-28(31-26)21-12-14-29-15-13-21/h2-5,7-9,11-15,17,22,33H,6,10,16,18-19H2,1H3/p+1/t22-/m0/s1