1-butyl-3-ethyl-imidazol-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-butyl-3-ethyl-imidazol-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-butyl-3-ethyl-imidazol-1-ium; 4-methylbenzenesulfonate CAS Name: 1-butyl-3-ethylimidazol-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-butyl-3-ethylimidazol-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-butyl-3-ethyl-imidazol-1-ium tosylate Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C=C1)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=CN(C=C1)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H17N2.C7H8O3S/c1-3-5-6-11-8-7-10(4-2)9-11;1-6-2-4-7(5-3-6)11(8,9)10/h7-9H,3-6H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1