ethyl-[(Z)-nonadec-2-en-2-yl]azanium; methyl sulfate

Systemtic Name: ethyl-[(Z)-nonadec-2-en-2-yl]azanium; methyl sulfate Openeye Name: ethyl-[(Z)-1-methyloctadec-1-enyl]ammonium; methyl sulfate CAS Name: ethyl-[(Z)-nonadec-2-en-2-yl]ammonium; methyl sulfate IUPAC Name: ethyl-[(Z)-nonadec-2-en-2-yl]azanium; methyl sulfate Traditional Name: ethyl-[(Z)-1-methyloctadec-1-enyl]ammonium; methyl sulfate Formula: C22H47NO4S MolecularWeight: 421.67788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C(/C)\[NH2+]CC.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H43N.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/h20,22H,4-19H2,1-3H3;1H3,(H,2,3,4)/b21-20-;