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

Systemtic Name: (3R,4R)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-4-morpholino-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-4-(4-morpholinyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-4-morpholin-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(5-fluoro-2-pyrazol-1-yl-benzyl)-4-morpholino-piperidin-1-ium-3-ol Formula: C19H26FN4O2+ MolecularWeight: 361.433743

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCOCC2)O)CC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCOCC2)O)CC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C19H25FN4O2/c20-16-2-3-17(24-6-1-5-21-24)15(12-16)13-22-7-4-18(19(25)14-22)23-8-10-26-11-9-23/h1-3,5-6,12,18-19,25H,4,7-11,13-14H2/p+1/t18-,19-/m1/s1