2,3-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate

Systemtic Name: 2,3-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Openeye Name: 2,3-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate CAS Name: 2,3-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate IUPAC Name: 2,3-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Traditional Name: 1,2-bis[(E)-octadec-9-enyl]-2-imidazolin-1-ium; methyl sulfate Formula: C40H78N2O4S MolecularWeight: 683.12332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=[N+](CCN1)CCCCCCCCC=CCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=[N+](CCN1)CCCCCCCC/C=C/CCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C39H74N2.CH4O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-40-36-38-41(39)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-6(2,3)4/h17-20H,3-16,21-38H2,1-2H3;1H3,(H,2,3,4)/b19-17+,20-18+;