ethyl 6-(dodecanoylamino)-2-(10-pyridin-1-ium-1-yldecylcarbamoylamino)hexanoate

Systemtic Name: ethyl 6-(dodecanoylamino)-2-(10-pyridin-1-ium-1-yldecylcarbamoylamino)hexanoate Openeye Name: ethyl 6-(dodecanoylamino)-2-(10-pyridin-1-ium-1-yldecylcarbamoylamino)hexanoate CAS Name: 6-(1-oxododecylamino)-2-[[oxo-[10-(1-pyridin-1-iumyl)decylamino]methyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-(dodecanoylamino)-2-(10-pyridin-1-ium-1-yldecylcarbamoylamino)hexanoate Traditional Name: 6-(lauroylamino)-2-(10-pyridin-1-ium-1-yldecylcarbamoylamino)hexanoic acid ethyl ester Formula: C36H65N4O4+ MolecularWeight: 617.9257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCCCC(C(=O)OCC)NC(=O)NCCCCCCCCCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCCCC(C(=O)OCC)NC(=O)NCCCCCCCCCC[N+]1=CC=CC=C1

InChI

InChI=1S/C36H64N4O4/c1-3-5-6-7-8-9-12-15-19-27-34(41)37-28-22-20-26-33(35(42)44-4-2)39-36(43)38-29-21-16-13-10-11-14-17-23-30-40-31-24-18-25-32-40/h18,24-25,31-33H,3-17,19-23,26-30H2,1-2H3,(H2-,37,38,39,41,43)/p+1