(2-chloranyl-6-fluoranyl-phenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[3-(2-pyrimidylthio)propyl]ammonium Formula: C14H16ClFN3S+ MolecularWeight: 312.813343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C[NH2+]CCCSC2=NC=CC=N2)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C[NH2+]CCCSC2=NC=CC=N2)F

InChI

InChI=1S/C14H15ClFN3S/c15-12-4-1-5-13(16)11(12)10-17-6-3-9-20-14-18-7-2-8-19-14/h1-2,4-5,7-8,17H,3,6,9-10H2/p+1