N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-3-fluoranyl-2-methylsulfanyl-aniline chloride

Systemtic Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-3-fluoranyl-2-methylsulfanyl-aniline chloride Openeye Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-3-fluoro-2-methylsulfanyl-aniline chloride CAS Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-3-fluoro-2-(methylthio)aniline chloride IUPAC Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-3-fluoro-2-methylsulfanylaniline chloride Traditional Name: [3-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=C1F)NCC2=NCC[NH2+]2.[Cl-]

Isomeric SMILES

CSC1=C(C=CC=C1F)NCC2=NCC[NH2+]2.[Cl-]

InChI

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