[(3R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[[1-(4-fluorophenyl)-4-pyrazolyl]methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C24H29FN3O+ MolecularWeight: 394.504963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN(N=C2)C3=CC=C(C=C3)F)(CCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CN(N=C2)C3=CC=C(C=C3)F)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C24H28FN3O/c25-22-7-9-23(10-8-22)28-17-21(15-26-28)16-27-14-4-12-24(18-27,19-29)13-11-20-5-2-1-3-6-20/h1-3,5-10,15,17,29H,4,11-14,16,18-19H2/p+1/t24-/m0/s1