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

Systemtic Name: 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[3-(3-fluorophenyl)-1-(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)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCSCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCSCC4

InChI

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