2-[[2-azanyl-6-[bis(azanyl)methylideneamino]-2-methyl-hexanoyl]amino]ethyl-methyl-dioctadecyl-azanium

Systemtic Name: 2-[[2-azanyl-6-[bis(azanyl)methylideneamino]-2-methyl-hexanoyl]amino]ethyl-methyl-dioctadecyl-azanium Openeye Name: 2-[(2-amino-6-guanidino-2-methyl-hexanoyl)amino]ethyl-methyl-dioctadecyl-ammonium CAS Name: 2-[[2-amino-6-(diaminomethylideneamino)-2-methyl-1-oxohexyl]amino]ethyl-methyl-dioctadecylammonium IUPAC Name: 2-[[2-amino-6-(diaminomethylideneamino)-2-methylhexanoyl]amino]ethyl-methyl-dioctadecylazanium Traditional Name: 2-[(2-amino-6-guanidino-2-methyl-hexanoyl)amino]ethyl-methyl-distearyl-ammonium Formula: C47H99N6O+ MolecularWeight: 764.32856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCNC(=O)C(C)(CCCCN=C(N)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCNC(=O)C(C)(CCCCN=C(N)N)N

InChI

InChI=1S/C47H98N6O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-42-53(4,44-41-51-45(54)47(3,50)39-35-36-40-52-46(48)49)43-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-44,50H2,1-4H3,(H4-,48,49,51,52,54)/p+1