2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H20N2O2S/c21-18(19-12-6-2-7-13-19)17(15-9-3-1-4-10-15)23-16-11-5-8-14-20(16)22/h1,3-5,8-11,14,17H,2,6-7,12-13H2