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2-dodecylheptadecyl(2-nonanoyloxyethyl)azanium iodide

Systemtic Name:	2-dodecylheptadecyl(2-nonanoyloxyethyl)azanium iodide
Openeye Name:	2-dodecylheptadecyl(2-nonanoyloxyethyl)ammonium iodide
CAS Name:	2-dodecylheptadecyl-[2-(1-oxononoxy)ethyl]ammonium iodide
IUPAC Name:	2-dodecylheptadecyl(2-nonanoyloxyethyl)azanium iodide
Traditional Name:	2-laurylheptadecyl(2-pelargonyloxyethyl)ammonium iodide
Formula:	C₄₀H₈₂INO₂
MolecularWeight:	735.98905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C[NH2+]CCOC(=O)CCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C[NH2+]CCOC(=O)CCCCCCCC.[I-]

InChI

InChI=1S/C40H81NO2.HI/c1-4-7-10-13-16-18-20-21-22-24-26-28-31-34-39(33-30-27-25-23-19-17-14-11-8-5-2)38-41-36-37-43-40(42)35-32-29-15-12-9-6-3;/h39,41H,4-38H2,1-3H3;1H

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