butan-1-ol; 6-chloranyl-N4-undecyl-undecane-1,2,4-triamine

Systemtic Name: butan-1-ol; 6-chloranyl-N4-undecyl-undecane-1,2,4-triamine Openeye Name: butan-1-ol; 6-chloro-N4-undecyl-undecane-1,2,4-triamine CAS Name: 1-butanol; 6-chloro-N4-undecylundecane-1,2,4-triamine IUPAC Name: butan-1-ol; 6-chloro-4-N-undecylundecane-1,2,4-triamine Traditional Name: butan-1-ol; [3-chloro-1-(2,3-diaminopropyl)octyl]-undecyl-amine Formula: C26H58ClN3O MolecularWeight: 464.21122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(CC(CCCCC)Cl)CC(CN)N.CCCCO

Isomeric SMILES

CCCCCCCCCCCNC(CC(CCCCC)Cl)CC(CN)N.CCCCO

InChI

InChI=1S/C22H48ClN3.C4H10O/c1-3-5-7-8-9-10-11-12-14-16-26-22(18-21(25)19-24)17-20(23)15-13-6-4-2;1-2-3-4-5/h20-22,26H,3-19,24-25H2,1-2H3;5H,2-4H2,1H3