(1-azanyl-3-methyl-nonadecan-2-yl)azanium; ethyl sulfate

Systemtic Name: (1-azanyl-3-methyl-nonadecan-2-yl)azanium; ethyl sulfate Openeye Name: [1-(aminomethyl)-2-methyl-octadecyl]ammonium; ethyl sulfate CAS Name: (1-amino-3-methylnonadecan-2-yl)ammonium; ethyl sulfate IUPAC Name: (1-amino-3-methylnonadecan-2-yl)azanium; ethyl sulfate Traditional Name: [1-(aminomethyl)-2-methyl-octadecyl]ammonium; ethyl sulfate Formula: C22H50N2O4S MolecularWeight: 438.7084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C(CN)[NH3+].CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C(CN)[NH3+].CCOS(=O)(=O)[O-]

InChI

InChI=1S/C20H44N2.C2H6O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)20(22)18-21;1-2-6-7(3,4)5/h19-20H,3-18,21-22H2,1-2H3;2H2,1H3,(H,3,4,5)