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

Systemtic Name: 3-butyl-1H-imidazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-butyl-1H-imidazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-butyl-1H-imidazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-butyl-1H-imidazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-butyl-1H-imidazol-3-ium tosylate Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2.C7H8O3S/c1-2-3-5-9-6-4-8-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-7H,2-3,5H2,1H3;2-5H,1H3,(H,8,9,10)