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

Systemtic Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methylsulfanyl-aniline chloride Openeye Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methylsulfanyl-aniline chloride CAS Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-(methylthio)aniline chloride IUPAC Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methylsulfanylaniline chloride Traditional Name: 2-imidazolin-1-ium-2-ylmethyl-[5-methoxy-2-(methylthio)phenyl]amine chloride Formula: C12H18ClN3OS MolecularWeight: 287.80882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC)NCC2=NCC[NH2+]2.[Cl-]

Isomeric SMILES

COC1=CC(=C(C=C1)SC)NCC2=NCC[NH2+]2.[Cl-]

InChI

InChI=1S/C12H17N3OS.ClH/c1-16-9-3-4-11(17-2)10(7-9)15-8-12-13-5-6-14-12;/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14);1H