[6-[[(2S)-1-(dihexadecylamino)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-hexyl]-trimethyl-azanium

Systemtic Name: [6-[[(2S)-1-(dihexadecylamino)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-hexyl]-trimethyl-azanium Openeye Name: [6-[[(1S)-2-(dihexadecylamino)-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-6-oxo-hexyl]-trimethyl-ammonium CAS Name: [6-[[(2S)-1-(dihexadecylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-oxohexyl]-trimethylammonium IUPAC Name: [6-[[(2S)-1-(dihexadecylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-oxohexyl]-trimethylazanium Traditional Name: [6-[[(1S)-2-(dicetylamino)-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-6-keto-hexyl]-trimethyl-ammonium Formula: C47H92N5O2+ MolecularWeight: 759.26568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)C(CC1=CN=CN1)NC(=O)CCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)[C@H](CC1=CN=CN1)NC(=O)CCCCC[N+](C)(C)C

InChI

InChI=1S/C47H91N5O2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-34-38-51(39-35-31-29-27-25-23-21-19-17-15-13-11-9-7-2)47(54)45(41-44-42-48-43-49-44)50-46(53)37-33-32-36-40-52(3,4)5/h42-43,45H,6-41H2,1-5H3,(H-,48,49,50,53)/p+1/t45-/m0/s1