N-[(4-methoxyphenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-p-anisyl-propionamide Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H18N2O3S/c1-12(22-15-5-3-4-10-18(15)20)16(19)17-11-13-6-8-14(21-2)9-7-13/h3-10,12H,11H2,1-2H3,(H,17,19)