N-methyl-1-[4-(4-methylsulfanylphenoxy)-1-oxidanidyl-pyridin-1-ium-3-yl]methanamine

Systemtic Name: N-methyl-1-[4-(4-methylsulfanylphenoxy)-1-oxidanidyl-pyridin-1-ium-3-yl]methanamine Openeye Name: N-methyl-1-[4-(4-methylsulfanylphenoxy)-1-oxido-pyridin-1-ium-3-yl]methanamine CAS Name: N-methyl-1-[4-[4-(methylthio)phenoxy]-1-oxido-3-pyridin-1-iumyl]methanamine IUPAC Name: N-methyl-1-[4-(4-methylsulfanylphenoxy)-1-oxidopyridin-1-ium-3-yl]methanamine Traditional Name: methyl-[[4-[4-(methylthio)phenoxy]-1-oxido-pyridin-1-ium-3-yl]methyl]amine Formula: C14H16N2O2S MolecularWeight: 276.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=C[N+](=C1)[O-])OC2=CC=C(C=C2)SC

Isomeric SMILES

CNCC1=C(C=C[N+](=C1)[O-])OC2=CC=C(C=C2)SC

InChI

InChI=1S/C14H16N2O2S/c1-15-9-11-10-16(17)8-7-14(11)18-12-3-5-13(19-2)6-4-12/h3-8,10,15H,9H2,1-2H3