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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-N-methyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-18(2)15-9-7-14(8-10-15)12-19(3)16(21)13-23-17-6-4-5-11-20(17)22/h4-11H,12-13H2,1-3H3