2-[2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol; methyl sulfate

Systemtic Name: 2-[2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol; methyl sulfate Openeye Name: 2-[2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol; methyl sulfate CAS Name: 2-[2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol; methyl sulfate IUPAC Name: 2-[2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol; methyl sulfate Traditional Name: 2-[2-[(Z)-heptadec-8-enyl]-1-methyl-2-imidazolin-1-ium-1-yl]ethanol; methyl sulfate Formula: C24H48N2O5S MolecularWeight: 476.71332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(C)CCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC1=NCC[N+]1(C)CCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H45N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23,2)21-22-26;1-5-6(2,3)4/h10-11,26H,3-9,12-22H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b11-10-;