1-azanyl-7-[bis(3-azanylpropyl)amino]-2-(dioctadecylamino)heptan-3-one

Systemtic Name: 1-azanyl-7-[bis(3-azanylpropyl)amino]-2-(dioctadecylamino)heptan-3-one Openeye Name: 1-amino-7-[bis(3-aminopropyl)amino]-2-(dioctadecylamino)heptan-3-one CAS Name: 1-amino-7-[bis(3-aminopropyl)amino]-2-(dioctadecylamino)-3-heptanone IUPAC Name: 1-amino-7-[bis(3-aminopropyl)amino]-2-(dioctadecylamino)heptan-3-one Traditional Name: 1-amino-7-[bis(3-aminopropyl)amino]-2-(distearylamino)heptan-3-one Formula: C49H103N5O MolecularWeight: 778.37502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(CN)C(=O)CCCCN(CCCN)CCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(CN)C(=O)CCCCN(CCCN)CCCN

InChI

InChI=1S/C49H103N5O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-45-54(46-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48(47-52)49(55)39-33-36-42-53(43-37-40-50)44-38-41-51/h48H,3-47,50-52H2,1-2H3