(Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)ethenol bromide

Systemtic Name: (Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)ethenol bromide Openeye Name: (Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)ethenol bromide CAS Name: (Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)ethenol bromide IUPAC Name: (Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)ethenol bromide Traditional Name: (Z)-1-(1-adamantyl)-2-(2-imidazolin-1-ium-2-ylthio)ethenol bromide Formula: C15H23BrN2OS MolecularWeight: 359.32492

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SC=C(C23CC4CC(C2)CC(C4)C3)O.[Br-]

Isomeric SMILES

C1C[NH+]=C(N1)S/C=C(/C23CC4CC(C2)CC(C4)C3)\O.[Br-]

InChI

InChI=1S/C15H22N2OS.BrH/c18-13(9-19-14-16-1-2-17-14)15-6-10-3-11(7-15)5-12(4-10)8-15;/h9-12,18H,1-8H2,(H,16,17);1H/b13-9-;