2,2-dimethyl-N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]propanamide Openeye Name: 2,2-dimethyl-N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]propanamide CAS Name: 2,2-dimethyl-N-[4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]propanamide Traditional Name: 2,2-dimethyl-N-[4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]propionamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H20N2O3S/c1-18(2,3)17(22)19-14-9-7-13(8-10-14)15(21)12-24-16-6-4-5-11-20(16)23/h4-11H,12H2,1-3H3,(H,19,22)