1-(4-methylpiperidin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-methyl-1-piperidyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: 1-(4-methyl-1-piperidinyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-methylpiperidino)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H20N2O2S/c1-11-6-9-15(10-7-11)14(17)12(2)19-13-5-3-4-8-16(13)18/h3-5,8,11-12H,6-7,9-10H2,1-2H3