N-[(4-dimethylaminophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-18(2)14-8-6-13(7-9-14)11-17-15(20)12-22-16-5-3-4-10-19(16)21/h3-10H,11-12H2,1-2H3,(H,17,20)