dihexadecyl-methyl-[2-[2-[(6-pyridin-2-ylpyridin-3-yl)carbonylamino]ethoxy]ethyl]azanium

Systemtic Name: dihexadecyl-methyl-[2-[2-[(6-pyridin-2-ylpyridin-3-yl)carbonylamino]ethoxy]ethyl]azanium Openeye Name: dihexadecyl-methyl-[2-[2-[[6-(2-pyridyl)pyridine-3-carbonyl]amino]ethoxy]ethyl]ammonium CAS Name: dihexadecyl-methyl-[2-[2-[[oxo-[6-(2-pyridinyl)-3-pyridinyl]methyl]amino]ethoxy]ethyl]ammonium IUPAC Name: dihexadecyl-methyl-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethyl]azanium Traditional Name: dicetyl-methyl-[2-[2-[[6-(2-pyridyl)nicotinoyl]amino]ethoxy]ethyl]ammonium Formula: C48H85N4O2+ MolecularWeight: 750.2141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCOCCNC(=O)C1=CN=C(C=C1)C2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCOCCNC(=O)C1=CN=C(C=C1)C2=CC=CC=N2

InChI

InChI=1S/C48H84N4O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-39-52(3,40-33-29-27-25-23-21-19-17-15-13-11-9-7-5-2)41-43-54-42-38-50-48(53)45-35-36-47(51-44-45)46-34-30-31-37-49-46/h30-31,34-37,44H,4-29,32-33,38-43H2,1-3H3/p+1