bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]-(phenylmethyl)azanium chloride

Systemtic Name: bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]ammonium chloride CAS Name: bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]azanium chloride Traditional Name: benzyl-bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]ammonium chloride Formula: C29H52ClNO2 MolecularWeight: 482.18168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C29H52NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-26-31,25-27-32)28-29-21-18-17-19-22-29;/h9-10,17-19,21-22,31-32H,2-8,11-16,20,23-28H2,1H3;1H/q+1;/p-1/b10-9-;