[(E)-octadec-9-enyl]-bis(oxidanyl)-propyl-azanium chloride

Systemtic Name: [(E)-octadec-9-enyl]-bis(oxidanyl)-propyl-azanium chloride Openeye Name: dihydroxy-[(E)-octadec-9-enyl]-propyl-ammonium chloride CAS Name: dihydroxy-[(E)-octadec-9-enyl]-propylammonium chloride IUPAC Name: dihydroxy-[(E)-octadec-9-enyl]-propylazanium chloride Traditional Name: dihydroxy-[(E)-octadec-9-enyl]-propyl-ammonium chloride Formula: C21H44ClNO2 MolecularWeight: 378.03256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+](CCC)(O)O.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[N+](CCC)(O)O.[Cl-]

InChI

InChI=1S/C21H44NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22(23,24)20-4-2;/h11-12,23-24H,3-10,13-21H2,1-2H3;1H/q+1;/p-1/b12-11+;