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

Systemtic Name: 2-methoxy-4-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-4-[[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-4-[[(3S)-3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-4-[[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-4-[[(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=C(C=CC(=C1)C[NH+]2CCCC(C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5)O

InChI

InChI=1S/C28H28N4O2/c1-34-26-16-20(9-10-25(26)33)18-32-15-5-8-23(19-32)27-24(21-6-3-2-4-7-21)17-30-28(31-27)22-11-13-29-14-12-22/h2-4,6-7,9-14,16-17,23,33H,5,8,15,18-19H2,1H3/p+1/t23-/m0/s1