N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(4-methyl-1-piperidyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-(4-methyl-1-piperidinyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(4-methylpiperidino)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H23N3O2S/c1-15-9-12-21(13-10-15)17-7-5-16(6-8-17)20-18(23)14-25-19-4-2-3-11-22(19)24/h2-8,11,15H,9-10,12-14H2,1H3,(H,20,23)