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

Systemtic Name: 4-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-pyrazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCSCC3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCSCC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN3OS/c1-26-18-8-6-16(7-9-18)21-17(14-24-10-12-27-13-11-24)15-25(23-21)20-5-3-2-4-19(20)22/h2-9,15H,10-14H2,1H3/p+1