1-(3-methylpiperidin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-methylpiperidin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(3-methyl-1-piperidyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(3-methyl-1-piperidinyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(3-methylpiperidin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(3-methylpiperidino)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H18N2O2S/c1-11-5-4-7-14(9-11)12(16)10-18-13-6-2-3-8-15(13)17/h2-3,6,8,11H,4-5,7,9-10H2,1H3