1-(1-adamantyl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)methylsulfonyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)methylsulfonyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(1-oxidopyridin-1-ium-2-yl)methylsulfonyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(1-oxido-2-pyridin-1-iumyl)methylsulfonyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(1-oxidopyridin-1-ium-2-yl)methylsulfonyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(1-oxidopyridin-1-ium-2-yl)methylsulfonyl]ethanone Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CS(=O)(=O)CC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CS(=O)(=O)CC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C18H23NO4S/c20-17(12-24(22,23)11-16-3-1-2-4-19(16)21)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-12H2