3-[(E)-icos-11-en-4-yl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate

Systemtic Name: 3-[(E)-icos-11-en-4-yl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Openeye Name: methyl sulfate; 3-[(E)-1-propylheptadec-8-enyl]-4,5-dihydro-1H-imidazol-3-ium CAS Name: 3-[(E)-eicos-11-en-4-yl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate IUPAC Name: 3-[(E)-icos-11-en-4-yl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Traditional Name: methyl sulfate; 1-[(E)-1-propylheptadec-8-enyl]-2-imidazolin-1-ium Formula: C24H48N2O4S MolecularWeight: 460.71392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCC)[N+]1=CNCC1.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(CCC)[N+]1=CNCC1.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H44N2.CH4O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(18-4-2)25-21-20-24-22-25;1-5-6(2,3)4/h11-12,22-23H,3-10,13-21H2,1-2H3;1H3,(H,2,3,4)/b12-11+;