methyl sulfate; 3-octadecyl-4,5-dihydro-1H-imidazol-3-ium

Systemtic Name: methyl sulfate; 3-octadecyl-4,5-dihydro-1H-imidazol-3-ium Openeye Name: methyl sulfate; 3-octadecyl-4,5-dihydro-1H-imidazol-3-ium CAS Name: methyl sulfate; 3-octadecyl-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: methyl sulfate; 3-octadecyl-4,5-dihydro-1H-imidazol-3-ium Traditional Name: methyl sulfate; 1-stearyl-2-imidazolin-1-ium Formula: C22H46N2O4S MolecularWeight: 434.67664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H42N2.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/h21H,2-20H2,1H3;1H3,(H,2,3,4)