N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-4-fluoranyl-2-methylsulfanyl-aniline chloride

Systemtic Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-4-fluoranyl-2-methylsulfanyl-aniline chloride Openeye Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-4-fluoro-2-methylsulfanyl-aniline chloride CAS Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-4-fluoro-2-(methylthio)aniline chloride IUPAC Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline chloride Traditional Name: [4-fluoro-2-(methylthio)phenyl]-(2-imidazolin-1-ium-2-ylmethyl)amine chloride Formula: C11H15ClFN3S MolecularWeight: 275.773303

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)F)NCC2=NCC[NH2+]2.[Cl-]

Isomeric SMILES

CSC1=C(C=CC(=C1)F)NCC2=NCC[NH2+]2.[Cl-]

InChI

InChI=1S/C11H14FN3S.ClH/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11;/h2-3,6,15H,4-5,7H2,1H3,(H,13,14);1H