ethyl sulfate; 3-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-3-ium

Systemtic Name: ethyl sulfate; 3-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-3-ium Openeye Name: ethyl sulfate; 3-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-3-ium CAS Name: ethyl sulfate; 3-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: ethyl sulfate; 3-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-3-ium Traditional Name: ethyl sulfate; 1-(15-methylhexadecyl)-2-imidazolin-1-ium Formula: C22H46N2O4S MolecularWeight: 434.67664

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)[O-].CC(C)CCCCCCCCCCCCCC[N+]1=CNCC1

Isomeric SMILES

CCOS(=O)(=O)[O-].CC(C)CCCCCCCCCCCCCC[N+]1=CNCC1

InChI

InChI=1S/C20H40N2.C2H6O4S/c1-20(2)15-13-11-9-7-5-3-4-6-8-10-12-14-17-22-18-16-21-19-22;1-2-6-7(3,4)5/h19-20H,3-18H2,1-2H3;2H2,1H3,(H,3,4,5)