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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CC(C)O)(CC(C)O)C(=O)[NH2+]CC=C.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCC(CC(C)O)(CC(C)O)C(=O)[NH2+]CC=C.[Cl-]

InChI

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