bis(2-hydroxyethyl)-octadecyl-(phenylmethyl)azanium chloride

Systemtic Name: bis(2-hydroxyethyl)-octadecyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-bis(2-hydroxyethyl)-octadecyl-ammonium chloride CAS Name: bis(2-hydroxyethyl)-octadecyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-bis(2-hydroxyethyl)-octadecylazanium chloride Traditional Name: benzyl-bis(2-hydroxyethyl)-stearyl-ammonium chloride Formula: C29H54ClNO2 MolecularWeight: 484.19756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54NO2.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;/h17-19,21-22,31-32H,2-16,20,23-28H2,1H3;1H/q+1;/p-1