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

Systemtic Name: hexadecyl-bis(2-hydroxyethyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-hexadecyl-bis(2-hydroxyethyl)ammonium chloride CAS Name: hexadecyl-bis(2-hydroxyethyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-hexadecyl-bis(2-hydroxyethyl)azanium chloride Traditional Name: benzyl-cetyl-bis(2-hydroxyethyl)ammonium chloride Formula: C27H50ClNO2 MolecularWeight: 456.1444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28(22-24-29,23-25-30)26-27-19-16-15-17-20-27;/h15-17,19-20,29-30H,2-14,18,21-26H2,1H3;1H/q+1;/p-1