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

Systemtic Name: (3S)-1-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Openeye Name: (3S)-1-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-1-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methoxypiperidin-1-ium IUPAC Name: (3S)-1-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Formula: C16H21FN3O+ MolecularWeight: 290.355843

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=CC=C3F

Isomeric SMILES

CO[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=CC=C3F

InChI

InChI=1S/C16H20FN3O/c1-21-13-5-4-8-20(11-13)10-12-9-18-19-16(12)14-6-2-3-7-15(14)17/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,18,19)/p+1/t13-/m0/s1