[3-[bis(azanyl)methylideneamino]-1-(dioctylamino)propyl] ethanoate

Systemtic Name: [3-[bis(azanyl)methylideneamino]-1-(dioctylamino)propyl] ethanoate Openeye Name: [1-(dioctylamino)-3-guanidino-propyl] acetate CAS Name: acetic acid [3-(diaminomethylideneamino)-1-(dioctylamino)propyl] ester IUPAC Name: [3-(diaminomethylideneamino)-1-(dioctylamino)propyl] acetate Traditional Name: acetic acid [1-(dioctylamino)-3-guanidino-propyl] ester Formula: C22H46N4O2 MolecularWeight: 398.62624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(CCN=C(N)N)OC(=O)C

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(CCN=C(N)N)OC(=O)C

InChI

InChI=1S/C22H46N4O2/c1-4-6-8-10-12-14-18-26(19-15-13-11-9-7-5-2)21(28-20(3)27)16-17-25-22(23)24/h21H,4-19H2,1-3H3,(H4,23,24,25)