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

Systemtic Name:	hexadecyl-(2-hydroxyethyl)-methyl-(phenylmethyl)azanium chloride
Openeye Name:	benzyl-hexadecyl-(2-hydroxyethyl)-methyl-ammonium chloride
CAS Name:	hexadecyl-(2-hydroxyethyl)-methyl-(phenylmethyl)ammonium chloride
IUPAC Name:	benzyl-hexadecyl-(2-hydroxyethyl)-methylazanium chloride
Traditional Name:	benzyl-cetyl-(2-hydroxyethyl)-methyl-ammonium chloride
Formula:	C₂₆H₄₈ClNO
MolecularWeight:	426.11842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(2,23-24-28)25-26-20-17-16-18-21-26;/h16-18,20-21,28H,3-15,19,22-25H2,1-2H3;1H/q+1;/p-1

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