4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol

Systemtic Name: 4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol Openeye Name: 4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol CAS Name: 4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol IUPAC Name: 4-methylbenzenesulfonate; 1-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol Traditional Name: 1-(3-methyl-2-undecyl-2-imidazolin-3-ium-4-yl)ethanol tosylate Formula: C24H42N2O4S MolecularWeight: 454.66628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](C(CN1)C(C)O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](C(CN1)C(C)O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H34N2O.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-17-18-14-16(15(2)20)19(17)3;1-6-2-4-7(5-3-6)11(8,9)10/h15-16,20H,4-14H2,1-3H3;2-5H,1H3,(H,8,9,10)