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

Systemtic Name: 1-butyl-3-methyl-imidazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 1-butyl-3-methyl-imidazol-3-ium; 4-methylbenzenesulfonate CAS Name: 1-butyl-3-methylimidazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 1-butyl-3-methylimidazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 1-butyl-3-methyl-imidazol-3-ium tosylate Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H15N2.C7H8O3S/c1-3-4-5-10-7-6-9(2)8-10;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,3-5H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1