[(Z)-2,2-bis(2-oxidanylpropyl)-3-prop-2-enyl-octadec-9-enoyl]azanium chloride

Systemtic Name: [(Z)-2,2-bis(2-oxidanylpropyl)-3-prop-2-enyl-octadec-9-enoyl]azanium chloride Openeye Name: [(Z)-3-allyl-2,2-bis(2-hydroxypropyl)octadec-9-enoyl]ammonium chloride CAS Name: [(Z)-2,2-bis(2-hydroxypropyl)-1-oxo-3-prop-2-enyloctadec-9-enyl]ammonium chloride IUPAC Name: [(Z)-2,2-bis(2-hydroxypropyl)-3-prop-2-enyloctadec-9-enoyl]azanium chloride Traditional Name: [(Z)-3-allyl-2,2-bis(2-hydroxypropyl)octadec-9-enoyl]ammonium chloride Formula: C27H52ClNO3 MolecularWeight: 474.15968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCC(CC=C)C(CC(C)O)(CC(C)O)C(=O)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCC(CC=C)C(CC(C)O)(CC(C)O)C(=O)[NH3+].[Cl-]

InChI

InChI=1S/C27H51NO3.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25(19-6-2)27(26(28)31,21-23(3)29)22-24(4)30;/h6,13-14,23-25,29-30H,2,5,7-12,15-22H2,1,3-4H3,(H2,28,31);1H/b14-13-;