[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)azanium

Systemtic Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-pyrazolyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-[3-(methylthio)propyl]ammonium Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCCSC)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCCSC)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3OS/c1-26-18-10-8-16(9-11-18)21-17(14-23-12-5-13-27-2)15-25(24-21)20-7-4-3-6-19(20)22/h3-4,6-11,15,23H,5,12-14H2,1-2H3/p+1