2-methylbenzenesulfonate; 2-undecyl-4,5-dihydro-1H-imidazol-1-ium

Systemtic Name: 2-methylbenzenesulfonate; 2-undecyl-4,5-dihydro-1H-imidazol-1-ium Openeye Name: 2-methylbenzenesulfonate; 2-undecyl-4,5-dihydro-1H-imidazol-1-ium CAS Name: 2-methylbenzenesulfonate; 2-undecyl-4,5-dihydro-1H-imidazol-1-ium IUPAC Name: 2-methylbenzenesulfonate; 2-undecyl-4,5-dihydro-1H-imidazol-1-ium Traditional Name: 2-methylbesylate; 2-undecyl-2-imidazolin-1-ium Formula: C21H36N2O3S MolecularWeight: 396.58714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NCC[NH2+]1.CC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=NCC[NH2+]1.CC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C14H28N2.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-6-4-2-3-5-7(6)11(8,9)10/h2-13H2,1H3,(H,15,16);2-5H,1H3,(H,8,9,10)