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

Systemtic Name: 4-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium Formula: C15H19FN3OS+ MolecularWeight: 308.394263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCSCC3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCSCC3)F

InChI

InChI=1S/C15H18FN3OS/c1-20-12-2-3-13(14(16)8-12)15-11(9-17-18-15)10-19-4-6-21-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,17,18)/p+1