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

Systemtic Name: 1-(2-heptadecyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol; 4-methylbenzenesulfonate Openeye Name: 1-(2-heptadecyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol; 4-methylbenzenesulfonate CAS Name: 1-(2-heptadecyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol; 4-methylbenzenesulfonate IUPAC Name: 1-(2-heptadecyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol; 4-methylbenzenesulfonate Traditional Name: 1-(2-heptadecyl-3-methyl-2-imidazolin-3-ium-4-yl)ethanol tosylate Formula: C30H54N2O4S MolecularWeight: 538.82576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](C(CN1)C(C)O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](C(CN1)C(C)O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H46N2O.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-22(21(2)26)25(23)3;1-6-2-4-7(5-3-6)11(8,9)10/h21-22,26H,4-20H2,1-3H3;2-5H,1H3,(H,8,9,10)