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

Systemtic Name: 1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium Openeye Name: 1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium CAS Name: 1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium IUPAC Name: 1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium Traditional Name: 1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium Formula: C20H29FN3O2+ MolecularWeight: 362.461563

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC1CC[NH+](CC1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

COCCCC1CC[NH+](CC1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C20H28FN3O2/c1-25-11-3-4-15-7-9-24(10-8-15)14-16-13-22-23-20(16)18-6-5-17(26-2)12-19(18)21/h5-6,12-13,15H,3-4,7-11,14H2,1-2H3,(H,22,23)/p+1