1-(azepan-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H18N2O2S/c16-12(14-8-4-1-2-5-9-14)11-18-13-7-3-6-10-15(13)17/h3,6-7,10H,1-2,4-5,8-9,11H2