ethyl(nonadecan-2-yl)azanium; methyl sulfate

Systemtic Name: ethyl(nonadecan-2-yl)azanium; methyl sulfate Openeye Name: ethyl(1-methyloctadecyl)ammonium; methyl sulfate CAS Name: ethyl(nonadecan-2-yl)ammonium; methyl sulfate IUPAC Name: ethyl(nonadecan-2-yl)azanium; methyl sulfate Traditional Name: ethyl(1-methyloctadecyl)ammonium; methyl sulfate Formula: C22H49NO4S MolecularWeight: 423.69376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)[NH2+]CC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)[NH2+]CC.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H45N.CH4O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)22-5-2;1-5-6(2,3)4/h21-22H,4-20H2,1-3H3;1H3,(H,2,3,4)