N4-(3-methylsulfanylphenyl)pyridin-1-ium-3,4-diamine

Systemtic Name: N4-(3-methylsulfanylphenyl)pyridin-1-ium-3,4-diamine Openeye Name: N4-(3-methylsulfanylphenyl)pyridin-1-ium-3,4-diamine CAS Name: N4-[3-(methylthio)phenyl]pyridin-1-ium-3,4-diamine IUPAC Name: 4-N-(3-methylsulfanylphenyl)pyridin-1-ium-3,4-diamine Traditional Name: (3-aminopyridin-1-ium-4-yl)-[3-(methylthio)phenyl]amine Formula: C12H14N3S+ MolecularWeight: 232.32466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=C(C=[NH+]C=C2)N

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C(C=[NH+]C=C2)N

InChI

InChI=1S/C12H13N3S/c1-16-10-4-2-3-9(7-10)15-12-5-6-14-8-11(12)13/h2-8H,13H2,1H3,(H,14,15)/p+1