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

Systemtic Name: 5-chloranyl-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfanyl-aniline chloride Openeye Name: 5-chloro-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfanyl-aniline chloride CAS Name: 5-chloro-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-(methylthio)aniline chloride IUPAC Name: 5-chloro-N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfanylaniline chloride Traditional Name: [5-chloro-2-(methylthio)phenyl]-(2-imidazolin-1-ium-2-ylmethyl)amine chloride Formula: C11H15Cl2N3S MolecularWeight: 292.2279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3S.ClH/c1-16-10-3-2-8(12)6-9(10)15-7-11-13-4-5-14-11;/h2-3,6,15H,4-5,7H2,1H3,(H,13,14);1H