1-(1-adamantyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(1-adamantyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: 1-(1-adamantyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: 1-(1-adamantyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C18H23NO2S MolecularWeight: 317.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C18H23NO2S/c1-12(22-16-4-2-3-5-19(16)21)17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3