1-(1-adamantyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide

Systemtic Name: 1-(1-adamantyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide Openeye Name: 1-(1-adamantyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide CAS Name: 1-(1-adamantyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide Traditional Name: 1-(1-adamantyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone bromide Formula: C16H23BrN2OS MolecularWeight: 371.33562

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3.[Br-]

Isomeric SMILES

C[N+]1=C(NC=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3.[Br-]

InChI

InChI=1S/C16H22N2OS.BrH/c1-18-3-2-17-15(18)20-10-14(19)16-7-11-4-12(8-16)6-13(5-11)9-16;/h2-3,11-13H,4-10H2,1H3;1H