diethyl sulfate; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

Systemtic Name: diethyl sulfate; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine Openeye Name: diethyl sulfate; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine CAS Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine; sulfuric acid diethyl ester IUPAC Name: diethyl sulfate; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine Traditional Name: 2-[2-[(E)-heptadec-1-enyl]-2-imidazolin-1-yl]ethylamine; sulfuric acid diethyl ester Formula: C26H53N3O4S MolecularWeight: 503.78172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC1=NCCN1CCN.CCOS(=O)(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCN.CCOS(=O)(=O)OCC

InChI

InChI=1S/C22H43N3.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23;1-3-7-9(5,6)8-4-2/h16-17H,2-15,18-21,23H2,1H3;3-4H2,1-2H3/b17-16+;