4-methylbenzenesulfonate; 1-methyl-3-oxidanyl-2-undecyl-imidazol-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-3-oxidanyl-2-undecyl-imidazol-1-ium Openeye Name: 1-hydroxy-3-methyl-2-undecyl-imidazol-3-ium; 4-methylbenzenesulfonate CAS Name: 1-hydroxy-3-methyl-2-undecylimidazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 1-hydroxy-3-methyl-2-undecylimidazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 1-hydroxy-3-methyl-2-undecyl-imidazol-3-ium tosylate Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](C=CN1O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](C=CN1O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H29N2O.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-15-16(2)13-14-17(15)18;1-6-2-4-7(5-3-6)11(8,9)10/h13-14,18H,3-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1