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

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-oxido-pyridin-1-ium-2-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-1-oxido-2-pyridin-1-iumcarboxamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-1-oxido-pyridin-1-ium-2-carboxamide Formula: C15H16N2O2S MolecularWeight: 288.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H16N2O2S/c1-16(11-12-6-8-13(20-2)9-7-12)15(18)14-5-3-4-10-17(14)19/h3-10H,11H2,1-2H3