N-[3-[methyl(phenyl)amino]propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-[methyl(phenyl)amino]propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(N-methylanilino)propyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[3-(N-methylanilino)propyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[3-(N-methylanilino)propyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[3-(N-methylanilino)propyl]-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(CCCNC(=O)CSC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)CSC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2S/c1-19(15-8-3-2-4-9-15)12-7-11-18-16(21)14-23-17-10-5-6-13-20(17)22/h2-6,8-10,13H,7,11-12,14H2,1H3,(H,18,21)