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

Systemtic Name: 1-(1-adamantyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C17H21NO2S MolecularWeight: 303.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C17H21NO2S/c19-15(11-21-16-3-1-2-4-18(16)20)17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14H,5-11H2