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dimethyl-(2-oxidanyl-1-tridecoxy-henicosan-4-yl)azanium chloride

Systemtic Name:	dimethyl-(2-oxidanyl-1-tridecoxy-henicosan-4-yl)azanium chloride
Openeye Name:	1-(2-hydroxy-3-tridecoxy-propyl)octadecyl-dimethyl-ammonium chloride
CAS Name:	(2-hydroxy-1-tridecoxyheneicosan-4-yl)-dimethylammonium chloride
IUPAC Name:	(2-hydroxy-1-tridecoxyhenicosan-4-yl)-dimethylazanium chloride
Traditional Name:	1-(2-hydroxy-3-tridecoxy-propyl)octadecyl-dimethyl-ammonium chloride
Formula:	C₃₆H₇₆ClNO₂
MolecularWeight:	590.44714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC(COCCCCCCCCCCCCC)O)[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC(COCCCCCCCCCCCCC)O)[NH+](C)C.[Cl-]

InChI

InChI=1S/C36H75NO2.ClH/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-35(37(3)4)33-36(38)34-39-32-30-28-26-24-22-16-14-12-10-8-6-2;/h35-36,38H,5-34H2,1-4H3;1H

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