[4-azanyl-7-[bis(azanyl)methylideneamino]-1-(dioctylamino)heptyl] ethanoate

Systemtic Name: [4-azanyl-7-[bis(azanyl)methylideneamino]-1-(dioctylamino)heptyl] ethanoate Openeye Name: [4-amino-1-(dioctylamino)-7-guanidino-heptyl] acetate CAS Name: acetic acid [4-amino-7-(diaminomethylideneamino)-1-(dioctylamino)heptyl] ester IUPAC Name: [4-amino-7-(diaminomethylideneamino)-1-(dioctylamino)heptyl] acetate Traditional Name: acetic acid [4-amino-1-(dioctylamino)-7-guanidino-heptyl] ester Formula: C26H55N5O2 MolecularWeight: 469.7472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(CCC(CCCN=C(N)N)N)OC(=O)C

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(CCC(CCCN=C(N)N)N)OC(=O)C

InChI

InChI=1S/C26H55N5O2/c1-4-6-8-10-12-14-21-31(22-15-13-11-9-7-5-2)25(33-23(3)32)19-18-24(27)17-16-20-30-26(28)29/h24-25H,4-22,27H2,1-3H3,(H4,28,29,30)