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

Systemtic Name: [(Z)-2,2-bis(2-hydroxyethyl)-3-prop-2-enyl-octadec-9-enoyl]azanium chloride Openeye Name: [(Z)-3-allyl-2,2-bis(2-hydroxyethyl)octadec-9-enoyl]ammonium chloride CAS Name: [(Z)-2,2-bis(2-hydroxyethyl)-1-oxo-3-prop-2-enyloctadec-9-enyl]ammonium chloride IUPAC Name: [(Z)-2,2-bis(2-hydroxyethyl)-3-prop-2-enyloctadec-9-enoyl]azanium chloride Traditional Name: [(Z)-3-allyl-2,2-bis(2-hydroxyethyl)octadec-9-enoyl]ammonium chloride Formula: C25H48ClNO3 MolecularWeight: 446.10652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47NO3.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23(17-4-2)25(19-21-27,20-22-28)24(26)29;/h4,11-12,23,27-28H,2-3,5-10,13-22H2,1H3,(H2,26,29);1H/b12-11-;