[2,2-dimethyl-4-[3-(1-octadecanoyl-4-oxidanylidene-piperazine-1,4-diium-1-yl)propylamino]-3-oxidanyl-4-oxidanylidene-butyl] 2,2-dimethylpropanoate

Systemtic Name: [2,2-dimethyl-4-[3-(1-octadecanoyl-4-oxidanylidene-piperazine-1,4-diium-1-yl)propylamino]-3-oxidanyl-4-oxidanylidene-butyl] 2,2-dimethylpropanoate Openeye Name: [3-hydroxy-2,2-dimethyl-4-[3-(1-octadecanoyl-4-oxo-piperazine-1,4-diium-1-yl)propylamino]-4-oxo-butyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-hydroxy-2,2-dimethyl-4-oxo-4-[3-[4-oxo-1-(1-oxooctadecyl)-1-piperazine-1,4-diiumyl]propylamino]butyl] ester IUPAC Name: [3-hydroxy-2,2-dimethyl-4-[3-(1-octadecanoyl-4-oxopiperazine-1,4-diium-1-yl)propylamino]-4-oxobutyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-hydroxy-4-keto-4-[3-(4-keto-1-stearoyl-piperazine-1,4-diium-1-yl)propylamino]-2,2-dimethyl-butyl] ester Formula: C36H69N3O6+2 MolecularWeight: 639.94956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[N+]1(CC[N+](=O)CC1)CCCNC(=O)C(C(C)(C)COC(=O)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[N+]1(CC[N+](=O)CC1)CCCNC(=O)C(C(C)(C)COC(=O)C(C)(C)C)O

InChI

InChI=1S/C36H68N3O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-31(40)39(28-25-38(44)26-29-39)27-22-24-37-33(42)32(41)36(5,6)30-45-34(43)35(2,3)4/h32,41H,7-30H2,1-6H3/q+1/p+1