2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H22N2O2S/c22-18(15-24-19-8-4-5-11-21(19)23)20-12-9-17(10-13-20)14-16-6-2-1-3-7-16/h1-8,11,17H,9-10,12-15H2