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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40N2.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23;1-5-6(2,3)4/h9-10,21H,2-8,11-20H2,1H3;1H3,(H,2,3,4)/b10-9+;