N-(3-methylsulfanylphenyl)-2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)-1-piperidyl]acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[4-(1-oxido-2-pyridin-1-iumyl)-1-piperidinyl]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidino]acetamide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=[N+]3[O-]

InChI

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