2-[3-(4-butan-2-ylpyridin-1-ium-1-yl)propanoyl-(2-nonadecanoyloxyethyl)amino]ethyl nonadecanoate

Systemtic Name: 2-[3-(4-butan-2-ylpyridin-1-ium-1-yl)propanoyl-(2-nonadecanoyloxyethyl)amino]ethyl nonadecanoate Openeye Name: 2-[2-nonadecanoyloxyethyl-[3-(4-sec-butylpyridin-1-ium-1-yl)propanoyl]amino]ethyl nonadecanoate CAS Name: nonadecanoic acid 2-[[3-(4-butan-2-yl-1-pyridin-1-iumyl)-1-oxopropyl]-[2-(1-oxononadecoxy)ethyl]amino]ethyl ester IUPAC Name: 2-[3-(4-butan-2-ylpyridin-1-ium-1-yl)propanoyl-(2-nonadecanoyloxyethyl)amino]ethyl nonadecanoate Traditional Name: nonadecanoic acid 2-[2-nonadecanoyloxyethyl-[3-(4-sec-butylpyridin-1-ium-1-yl)propanoyl]amino]ethyl ester Formula: C54H99N2O5+ MolecularWeight: 856.37426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCCC)C(=O)CC[N+]1=CC=C(C=C1)C(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCCC)C(=O)CC[N+]1=CC=C(C=C1)C(C)CC

InChI

InChI=1S/C54H99N2O5/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-53(58)60-48-46-56(52(57)42-45-55-43-40-51(41-44-55)50(4)7-3)47-49-61-54(59)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h40-41,43-44,50H,5-39,42,45-49H2,1-4H3/q+1