2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol; ethyl sulfate

Systemtic Name: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol; ethyl sulfate Openeye Name: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol; ethyl sulfate CAS Name: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]-1-imidazol-1-iumyl]ethanol; ethyl sulfate IUPAC Name: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol; ethyl sulfate Traditional Name: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol; ethyl sulfate Formula: C26H50N2O5S MolecularWeight: 502.7506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=[N+](C=CN1CC)CCO.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1=[N+](C=CN1CC)CCO.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C24H45N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h11-12,20-21,27H,3-10,13-19,22-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1/b12-11+;