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

Systemtic Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfanyl-aniline chloride Openeye Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfanyl-aniline chloride CAS Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-(methylthio)aniline chloride IUPAC Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfanylaniline chloride Traditional Name: 2-imidazolin-1-ium-2-ylmethyl-[2-(methylthio)phenyl]amine chloride Formula: C11H16ClN3S MolecularWeight: 257.78284

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NCC2=NCC[NH2+]2.[Cl-]

Isomeric SMILES

CSC1=CC=CC=C1NCC2=NCC[NH2+]2.[Cl-]

InChI

InChI=1S/C11H15N3S.ClH/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11;/h2-5,14H,6-8H2,1H3,(H,12,13);1H