(3-dodecylfuran-2-yl)-trimethyl-azanium; methyl sulfate

Systemtic Name: (3-dodecylfuran-2-yl)-trimethyl-azanium; methyl sulfate Openeye Name: (3-dodecyl-2-furyl)-trimethyl-ammonium; methyl sulfate CAS Name: (3-dodecyl-2-furanyl)-trimethylammonium; methyl sulfate IUPAC Name: (3-dodecylfuran-2-yl)-trimethylazanium; methyl sulfate Traditional Name: (3-lauryl-2-furyl)-trimethyl-ammonium; methyl sulfate Formula: C20H39NO5S MolecularWeight: 405.59236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(OC=C1)[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(OC=C1)[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H36NO.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-18-16-17-21-19(18)20(2,3)4;1-5-6(2,3)4/h16-17H,5-15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1