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

Systemtic Name: methyl sulfate; 3-[(E)-octadec-9-en-2-yl]-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 3-[(E)-1-methylheptadec-8-enyl]-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate CAS Name: methyl sulfate; 3-[(E)-octadec-9-en-2-yl]-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: methyl sulfate; 3-[(E)-octadec-9-en-2-yl]-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 1-[(E)-1-methylheptadec-8-enyl]-2-imidazolin-1-ium; methyl sulfate Formula: C22H44N2O4S MolecularWeight: 432.66076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40N2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2)23-19-18-22-20-23;1-5-6(2,3)4/h10-11,20-21H,3-9,12-19H2,1-2H3;1H3,(H,2,3,4)/b11-10+;