1-(1-adamantyl)-2-(thiolan-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(1-adamantyl)-2-(thiolan-1-ium-1-yl)ethanone bromide Openeye Name: 1-(1-adamantyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone bromide CAS Name: 1-(1-adamantyl)-2-(1-thiolan-1-iumyl)ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-(thiolan-1-ium-1-yl)ethanone bromide Traditional Name: 1-(1-adamantyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone bromide Formula: C16H25BrOS MolecularWeight: 345.3381

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)CC(=O)C23CC4CC(C2)CC(C4)C3.[Br-]

Isomeric SMILES

C1CC[S+](C1)CC(=O)C23CC4CC(C2)CC(C4)C3.[Br-]

InChI

InChI=1S/C16H25OS.BrH/c17-15(11-18-3-1-2-4-18)16-8-12-5-13(9-16)7-14(6-12)10-16;/h12-14H,1-11H2;1H/q+1;/p-1