2-[1-(phenylmethyl)-4,5-dihydroimidazol-2-yl]benzenesulfonate; tetraheptylazanium

Systemtic Name: 2-[1-(phenylmethyl)-4,5-dihydroimidazol-2-yl]benzenesulfonate; tetraheptylazanium Openeye Name: 2-(1-benzyl-4,5-dihydroimidazol-2-yl)benzenesulfonate; tetraheptylammonium CAS Name: 2-[1-(phenylmethyl)-4,5-dihydroimidazol-2-yl]benzenesulfonate; tetraheptylammonium IUPAC Name: 2-(1-benzyl-4,5-dihydroimidazol-2-yl)benzenesulfonate; tetraheptylazanium Traditional Name: 2-(1-benzyl-2-imidazolin-2-yl)besylate; tetraheptylammonium Formula: C44H75N3O3S MolecularWeight: 726.1496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.C1CN(C(=N1)C2=CC=CC=C2S(=O)(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.C1CN(C(=N1)C2=CC=CC=C2S(=O)(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C28H60N.C16H16N2O3S/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;19-22(20,21)15-9-5-4-8-14(15)16-17-10-11-18(16)12-13-6-2-1-3-7-13/h5-28H2,1-4H3;1-9H,10-12H2,(H,19,20,21)/q+1;/p-1