1,5-bis(oxidanyl)pentan-3-yl-[(E)-docos-13-enyl]azanium chloride

Systemtic Name: 1,5-bis(oxidanyl)pentan-3-yl-[(E)-docos-13-enyl]azanium chloride Openeye Name: [(E)-docos-13-enyl]-[3-hydroxy-1-(2-hydroxyethyl)propyl]ammonium chloride CAS Name: 1,5-dihydroxypentan-3-yl-[(E)-docos-13-enyl]ammonium chloride IUPAC Name: 1,5-dihydroxypentan-3-yl-[(E)-docos-13-enyl]azanium chloride Traditional Name: [(E)-docos-13-enyl]-[3-hydroxy-1-(2-hydroxyethyl)propyl]ammonium chloride Formula: C27H56ClNO2 MolecularWeight: 462.19204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H55NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-27(22-25-29)23-26-30;/h9-10,27-30H,2-8,11-26H2,1H3;1H/b10-9+;