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

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

Isomeric SMILES

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

InChI

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