1-[1-[(1E)-7,7-dimethyl-1-oxidanidyl-3,4-dihydro-2H-1,5-diazocin-1-ium-6-yl]ethylamino]hexadecan-2-ol

Systemtic Name: 1-[1-[(1E)-7,7-dimethyl-1-oxidanidyl-3,4-dihydro-2H-1,5-diazocin-1-ium-6-yl]ethylamino]hexadecan-2-ol Openeye Name: 1-[1-[(1E)-7,7-dimethyl-1-oxido-3,4-dihydro-2H-1,5-diazocin-1-ium-6-yl]ethylamino]hexadecan-2-ol CAS Name: 1-[1-[(1E)-7,7-dimethyl-1-oxido-3,4-dihydro-2H-1,5-diazocin-1-ium-6-yl]ethylamino]-2-hexadecanol IUPAC Name: 1-[1-[(1E)-7,7-dimethyl-1-oxido-3,4-dihydro-2H-1,5-diazocin-1-ium-6-yl]ethylamino]hexadecan-2-ol Traditional Name: 1-[1-[(1E)-7,7-dimethyl-1-oxido-3,4-dihydro-2H-1,5-diazocin-1-ium-6-yl]ethylamino]hexadecan-2-ol Formula: C26H51N3O2 MolecularWeight: 437.70204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CNC(C)C1=NCCC[N+](=CC1(C)C)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCC(CNC(C)C1=NCCC/[N+](=C\C1(C)C)/[O-])O

InChI

InChI=1S/C26H51N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-24(30)21-28-23(2)25-26(3,4)22-29(31)20-17-19-27-25/h22-24,28,30H,5-21H2,1-4H3/b27-25?,29-22+