N2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-4-methylsulfanyl-benzene-1,2-diamine chloride

Systemtic Name: N2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-4-methylsulfanyl-benzene-1,2-diamine chloride Openeye Name: N2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-4-methylsulfanyl-benzene-1,2-diamine chloride CAS Name: N2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-4-(methylthio)benzene-1,2-diamine chloride IUPAC Name: 2-N-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-4-methylsulfanylbenzene-1,2-diamine chloride Traditional Name: [2-amino-5-(methylthio)phenyl]-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]amine chloride Formula: C13H19ClN4S MolecularWeight: 298.83476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CCNC2=C(C=CC(=C2)SC)N.[Cl-]

Isomeric SMILES

C[N+]1=C(NC=C1)CCNC2=C(C=CC(=C2)SC)N.[Cl-]

InChI

InChI=1S/C13H18N4S.ClH/c1-17-8-7-16-13(17)5-6-15-12-9-10(18-2)3-4-11(12)14;/h3-4,7-9,15H,5-6,14H2,1-2H3;1H