2-(4,5-dihydroimidazol-1-yl)ethanamine; 2-dodecylbenzenesulfonic acid

Systemtic Name: 2-(4,5-dihydroimidazol-1-yl)ethanamine; 2-dodecylbenzenesulfonic acid Openeye Name: 2-(4,5-dihydroimidazol-1-yl)ethanamine; 2-dodecylbenzenesulfonic acid CAS Name: 2-(4,5-dihydroimidazol-1-yl)ethanamine; 2-dodecylbenzenesulfonic acid IUPAC Name: 2-(4,5-dihydroimidazol-1-yl)ethanamine; 2-dodecylbenzenesulfonic acid Traditional Name: 2-(2-imidazolin-1-yl)ethylamine; 2-laurylbesylic acid Formula: C41H71N3O6S2 MolecularWeight: 766.14894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.C1CN(C=N1)CCN

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.C1CN(C=N1)CCN

InChI

InChI=1S/2C18H30O3S.C5H11N3/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;6-1-3-8-4-2-7-5-8/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);5H,1-4,6H2