1,5-bis(2-hydroxyethyloxy)pentan-3-yl-[(E)-octadec-9-enyl]azanium chloride

Systemtic Name: 1,5-bis(2-hydroxyethyloxy)pentan-3-yl-[(E)-octadec-9-enyl]azanium chloride Openeye Name: [3-(2-hydroxyethoxy)-1-[2-(2-hydroxyethoxy)ethyl]propyl]-[(E)-octadec-9-enyl]ammonium chloride CAS Name: 1,5-bis(2-hydroxyethoxy)pentan-3-yl-[(E)-octadec-9-enyl]ammonium chloride IUPAC Name: 1,5-bis(2-hydroxyethoxy)pentan-3-yl-[(E)-octadec-9-enyl]azanium chloride Traditional Name: [3-(2-hydroxyethoxy)-1-[2-(2-hydroxyethoxy)ethyl]propyl]-[(E)-octadec-9-enyl]ammonium chloride Formula: C27H56ClNO4 MolecularWeight: 494.19084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[NH2+]C(CCOCCO)CCOCCO.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[NH2+]C(CCOCCO)CCOCCO.[Cl-]

InChI

InChI=1S/C27H55NO4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-27(18-23-31-25-21-29)19-24-32-26-22-30;/h9-10,27-30H,2-8,11-26H2,1H3;1H/b10-9+;