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

Systemtic Name: 5-methoxy-2-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 5-methoxy-2-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 5-methoxy-2-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 5-methoxy-2-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 5-methoxy-2-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C29H31N4O3+ MolecularWeight: 483.58144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5)O

InChI

InChI=1S/C29H30N4O3/c1-35-24-5-3-4-22(16-24)26-18-31-29(21-8-12-30-13-9-21)32-28(26)20-10-14-33(15-11-20)19-23-6-7-25(36-2)17-27(23)34/h3-9,12-13,16-18,20,34H,10-11,14-15,19H2,1-2H3/p+1