(2-chloranyl-6-fluoranyl-phenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]ammonium Formula: C16H20ClFN3S+ MolecularWeight: 340.866503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC[NH2+]CC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC[NH2+]CC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C16H19ClFN3S/c1-11-9-12(2)21-16(20-11)22-8-4-7-19-10-13-14(17)5-3-6-15(13)18/h3,5-6,9,19H,4,7-8,10H2,1-2H3/p+1