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

Systemtic Name: (3R,4R)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(5-fluoro-2-pyrazol-1-yl-benzyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C24H32FN6O+3 MolecularWeight: 439.548883

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=C(C=CC(=C4)F)N5C=CC=N5

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=C(C=CC(=C4)F)N5C=CC=N5

InChI

InChI=1S/C24H29FN6O/c25-20-5-6-21(31-10-3-9-27-31)19(16-20)17-28-11-7-22(23(32)18-28)29-12-14-30(15-13-29)24-4-1-2-8-26-24/h1-6,8-10,16,22-23,32H,7,11-15,17-18H2/p+3/t22-,23-/m1/s1