(3R,4R)-4-morpholin-4-ium-4-yl-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-morpholin-4-iumyl)-1-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-[4-[2-(5-pyrimidyl)ethynyl]benzyl]piperidin-1-ium-3-ol Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCOCC2)O)CC3=CC=C(C=C3)C#CC4=CN=CN=C4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCOCC2)O)CC3=CC=C(C=C3)C#CC4=CN=CN=C4

InChI

InChI=1S/C22H26N4O2/c27-22-16-25(8-7-21(22)26-9-11-28-12-10-26)15-19-4-1-18(2-5-19)3-6-20-13-23-17-24-14-20/h1-2,4-5,13-14,17,21-22,27H,7-12,15-16H2/p+2/t21-,22-/m1/s1