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

Systemtic Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfanyl-5-(trifluoromethyl)aniline chloride Openeye Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfanyl-5-(trifluoromethyl)aniline chloride CAS Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-(methylthio)-5-(trifluoromethyl)aniline chloride IUPAC Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfanyl-5-(trifluoromethyl)aniline chloride Traditional Name: 2-imidazolin-1-ium-2-ylmethyl-[2-(methylthio)-5-(trifluoromethyl)phenyl]amine chloride Formula: C12H15ClF3N3S MolecularWeight: 325.78081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3N3S.ClH/c1-19-10-3-2-8(12(13,14)15)6-9(10)18-7-11-16-4-5-17-11;/h2-3,6,18H,4-5,7H2,1H3,(H,16,17);1H