1-[4,5-diethyl-1,3-di(propan-2-yl)imidazol-1-ium-2-yl]sulfanylbutan-2-one chloride

Systemtic Name: 1-[4,5-diethyl-1,3-di(propan-2-yl)imidazol-1-ium-2-yl]sulfanylbutan-2-one chloride Openeye Name: 1-(4,5-diethyl-1,3-diisopropyl-imidazol-1-ium-2-yl)sulfanylbutan-2-one chloride CAS Name: 1-[[4,5-diethyl-1,3-di(propan-2-yl)-2-imidazol-1-iumyl]thio]-2-butanone chloride IUPAC Name: 1-[4,5-diethyl-1,3-di(propan-2-yl)imidazol-1-ium-2-yl]sulfanylbutan-2-one chloride Traditional Name: 1-[(4,5-diethyl-1,3-diisopropyl-imidazol-1-ium-2-yl)thio]butan-2-one chloride Formula: C17H31ClN2OS MolecularWeight: 346.95884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+](=C(N1C(C)C)SCC(=O)CC)C(C)C)CC.[Cl-]

Isomeric SMILES

CCC1=C([N+](=C(N1C(C)C)SCC(=O)CC)C(C)C)CC.[Cl-]

InChI

InChI=1S/C17H31N2OS.ClH/c1-8-14(20)11-21-17-18(12(4)5)15(9-2)16(10-3)19(17)13(6)7;/h12-13H,8-11H2,1-7H3;1H/q+1;/p-1