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

Systemtic Name: 2-[3-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Openeye Name: 2-[3-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenoxy]ethanol CAS Name: 2-[3-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]phenoxy]ethanol IUPAC Name: 2-[3-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Traditional Name: 2-[3-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Formula: C30H33N4O3+ MolecularWeight: 497.60802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=CC(=CC=C4)OCCO)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=CC(=CC=C4)OCCO)C5=CC=NC=C5

InChI

InChI=1S/C30H32N4O3/c1-36-26-6-3-5-25(19-26)28-20-32-30(24-8-12-31-13-9-24)33-29(28)23-10-14-34(15-11-23)21-22-4-2-7-27(18-22)37-17-16-35/h2-9,12-13,18-20,23,35H,10-11,14-17,21H2,1H3/p+1