4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium Formula: C15H19FN3S+ MolecularWeight: 292.394863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCSCC3

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCSCC3

InChI

InChI=1S/C15H18FN3S/c1-18-10-12(11-19-6-8-20-9-7-19)15(17-18)13-4-2-3-5-14(13)16/h2-5,10H,6-9,11H2,1H3/p+1