[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanyl-piperidin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanyl-piperidin-1-yl]-pyridin-4-yl-methanone Openeye Name: [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxy-1-piperidyl]-(4-pyridyl)methanone CAS Name: [(3R,4R)-4-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-hydroxy-1-piperidinyl]-pyridin-4-ylmethanone IUPAC Name: [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone Traditional Name: [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxy-piperidino]-(4-pyridyl)methanone Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1[NH+]2CCN(CC2)C3=CC=CC=C3F)O)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=C3F)O)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H25FN4O2/c22-17-3-1-2-4-18(17)24-11-13-25(14-12-24)19-7-10-26(15-20(19)27)21(28)16-5-8-23-9-6-16/h1-6,8-9,19-20,27H,7,10-15H2/p+1/t19-,20-/m1/s1