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2-heptyloctadecyl(2-octanoyloxyethyl)azanium chloride

Systemtic Name:	2-heptyloctadecyl(2-octanoyloxyethyl)azanium chloride
Openeye Name:	2-heptyloctadecyl(2-octanoyloxyethyl)ammonium chloride
CAS Name:	2-heptyloctadecyl-[2-(1-oxooctoxy)ethyl]ammonium chloride
IUPAC Name:	2-heptyloctadecyl(2-octanoyloxyethyl)azanium chloride
Traditional Name:	2-caprylyloxyethyl(2-heptyloctadecyl)ammonium chloride
Formula:	C₃₅H₇₂ClNO₂
MolecularWeight:	574.40468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCC)C[NH2+]CCOC(=O)CCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCC)C[NH2+]CCOC(=O)CCCCCCC.[Cl-]

InChI

InChI=1S/C35H71NO2.ClH/c1-4-7-10-13-14-15-16-17-18-19-20-21-24-26-29-34(28-25-22-11-8-5-2)33-36-31-32-38-35(37)30-27-23-12-9-6-3;/h34,36H,4-33H2,1-3H3;1H

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