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

Systemtic Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [3-(3-fluorophenyl)-1-(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)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH2+]CCCSC

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH2+]CCCSC

InChI

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