bis[(Z)-octadec-9-enoyl]-(3-oxidanylpropyl)azanium chloride

Systemtic Name: bis[(Z)-octadec-9-enoyl]-(3-oxidanylpropyl)azanium chloride Openeye Name: 3-hydroxypropyl-bis[(Z)-octadec-9-enoyl]ammonium chloride CAS Name: 3-hydroxypropyl-bis[(Z)-1-oxooctadec-9-enyl]ammonium chloride IUPAC Name: 3-hydroxypropyl-bis[(Z)-octadec-9-enoyl]azanium chloride Traditional Name: 3-hydroxypropyl-bis[(Z)-octadec-9-enoyl]ammonium chloride Formula: C39H74ClNO3 MolecularWeight: 640.46276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[NH+](CCCO)C(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)[NH+](C(=O)CCCCCCC/C=C\CCCCCCCC)CCCO.[Cl-]

InChI

InChI=1S/C39H73NO3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(42)40(36-33-37-41)39(43)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,41H,3-16,21-37H2,1-2H3;1H/b19-17-,20-18-;