N-[(4-methylsulfanylphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(4-methylsulfanylphenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[[4-(methylthio)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [4-(methylthio)benzyl]-pyridin-1-ium-2-yl-amine Formula: C13H15N2S+ MolecularWeight: 231.3366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=CC=CC=[NH+]2

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=CC=CC=[NH+]2

InChI

InChI=1S/C13H14N2S/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)/p+1