(3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium

Systemtic Name: (3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium Openeye Name: (3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium CAS Name: (3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-propoxypiperidin-1-ium IUPAC Name: (3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-propoxypiperidin-1-ium Traditional Name: (3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium Formula: C19H27FN3O2+ MolecularWeight: 348.434983

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC[NH+](C1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CCCO[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C19H26FN3O2/c1-3-9-25-16-5-4-8-23(13-16)12-14-11-21-22-19(14)17-7-6-15(24-2)10-18(17)20/h6-7,10-11,16H,3-5,8-9,12-13H2,1-2H3,(H,21,22)/p+1/t16-/m0/s1