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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC1=NCCN1C(C)N.CCOS(=O)(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C1=NCCN1C(C)N.CCOS(=O)(=O)OCC

InChI

InChI=1S/C22H43N3.C4H10O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-19-20-25(22)21(2)23;1-3-7-9(5,6)8-4-2/h17-18,21H,3-16,19-20,23H2,1-2H3;3-4H2,1-2H3/b18-17+;