[(E)-hexadec-1-enyl]-bis(2-hydroxyethyl)-(phenylmethyl)azanium chloride

Systemtic Name: [(E)-hexadec-1-enyl]-bis(2-hydroxyethyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-[(E)-hexadec-1-enyl]-bis(2-hydroxyethyl)ammonium chloride CAS Name: [(E)-hexadec-1-enyl]-bis(2-hydroxyethyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[(E)-hexadec-1-enyl]-bis(2-hydroxyethyl)azanium chloride Traditional Name: benzyl-[(E)-hexadec-1-enyl]-bis(2-hydroxyethyl)ammonium chloride Formula: C27H48ClNO2 MolecularWeight: 454.12852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO2.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;/h15-21,29-30H,2-14,22-26H2,1H3;1H/q+1;/p-1/b21-18+;