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

Systemtic Name: N2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-4-methylsulfanyl-benzene-1,2-diamine Openeye Name: N2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-4-methylsulfanyl-benzene-1,2-diamine CAS Name: N2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-4-(methylthio)benzene-1,2-diamine IUPAC Name: 2-N-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-4-methylsulfanylbenzene-1,2-diamine Traditional Name: [2-amino-5-(methylthio)phenyl]-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]amine Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4S/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/p+1