2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethyl-methyl-dioctadecyl-azanium

Systemtic Name: 2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethyl-methyl-dioctadecyl-azanium Openeye Name: 2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]ethyl-methyl-dioctadecyl-ammonium CAS Name: 2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]ethyl-methyl-dioctadecylammonium IUPAC Name: 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]ethyl-methyl-dioctadecylazanium Traditional Name: 2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]ethyl-methyl-distearyl-ammonium Formula: C45H95N6O+ MolecularWeight: 736.2754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCNC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C45H94N6O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-51(3,42-39-49-44(52)43(46)37-36-38-50-45(47)48)41-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h43H,4-42,46H2,1-3H3,(H4-,47,48,49,50,52)/p+1/t43-/m0/s1