2-methyl-4-[4-[[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[4-[[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[4-[[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol CAS Name: 2-methyl-4-[4-[[4-[5-phenyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]phenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[4-[[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Formula: C32H33N4O+ MolecularWeight: 489.63062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CN=CC=C5)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CN=CC=C5)O

InChI

InChI=1S/C32H32N4O/c1-32(2,37)17-14-24-10-12-25(13-11-24)23-36-19-15-27(16-20-36)30-29(26-7-4-3-5-8-26)22-34-31(35-30)28-9-6-18-33-21-28/h3-13,18,21-22,27,37H,15-16,19-20,23H2,1-2H3/p+1