1-(3-dodecyl-2-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)ethanol; 4-methylbenzenesulfonate

Systemtic Name: 1-(3-dodecyl-2-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)ethanol; 4-methylbenzenesulfonate Openeye Name: 1-(3-dodecyl-2-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)ethanol; 4-methylbenzenesulfonate CAS Name: 1-(3-dodecyl-2-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)ethanol; 4-methylbenzenesulfonate IUPAC Name: 1-(3-dodecyl-2-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)ethanol; 4-methylbenzenesulfonate Traditional Name: 1-(3-lauryl-2-methyl-2-imidazoline-1,3-diium-1-yl)ethanol tosylate Formula: C25H45N2O4S+ MolecularWeight: 469.7008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H37N2O.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-16-20(17(19)2)18(3)21;1-6-2-4-7(5-3-6)11(8,9)10/h18,21H,4-16H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;