2-[bis(2-oxidanylhexadecyl)amino]ethyl-ethyl-(2-hydroxyethyl)-(2-oxidanylhexadecyl)azanium

Systemtic Name: 2-[bis(2-oxidanylhexadecyl)amino]ethyl-ethyl-(2-hydroxyethyl)-(2-oxidanylhexadecyl)azanium Openeye Name: 2-[bis(2-hydroxyhexadecyl)amino]ethyl-ethyl-(2-hydroxyethyl)-(2-hydroxyhexadecyl)ammonium CAS Name: 2-[bis(2-hydroxyhexadecyl)amino]ethyl-ethyl-(2-hydroxyethyl)-(2-hydroxyhexadecyl)ammonium IUPAC Name: 2-[bis(2-hydroxyhexadecyl)amino]ethyl-ethyl-(2-hydroxyethyl)-(2-hydroxyhexadecyl)azanium Traditional Name: 2-[bis(2-hydroxyhexadecyl)amino]ethyl-ethyl-(2-hydroxyethyl)-(2-hydroxyhexadecyl)ammonium Formula: C54H113N2O4+ MolecularWeight: 854.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CN(CC[N+](CC)(CCO)CC(CCCCCCCCCCCCCC)O)CC(CCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CN(CC[N+](CC)(CCO)CC(CCCCCCCCCCCCCC)O)CC(CCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C54H113N2O4/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-52(58)49-55(50-53(59)43-40-37-34-31-28-25-22-19-16-13-10-6-2)45-46-56(8-4,47-48-57)51-54(60)44-41-38-35-32-29-26-23-20-17-14-11-7-3/h52-54,57-60H,5-51H2,1-4H3/q+1