[5-(4-fluorophenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: [5-(4-fluorophenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: [5-(4-fluorophenyl)-2-furyl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: [5-(4-fluorophenyl)-2-furanyl]methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: [5-(4-fluorophenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: [5-(4-fluorophenyl)-2-furyl]methyl-[3-(2-pyrimidylthio)propyl]ammonium Formula: C18H19FN3OS+ MolecularWeight: 344.426363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCC[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CN=C(N=C1)SCCC[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3OS/c19-15-5-3-14(4-6-15)17-8-7-16(23-17)13-20-9-2-12-24-18-21-10-1-11-22-18/h1,3-8,10-11,20H,2,9,12-13H2/p+1