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

Systemtic Name: [3-acetyloxy-2,2-dimethyl-4-[3-(1-octadecanoyl-4-oxidanylidene-piperazine-1,4-diium-1-yl)propylamino]-4-oxidanylidene-butyl] ethanoate Openeye Name: [3-acetoxy-2,2-dimethyl-4-[3-(1-octadecanoyl-4-oxo-piperazine-1,4-diium-1-yl)propylamino]-4-oxo-butyl] acetate CAS Name: acetic acid [3-acetyloxy-2,2-dimethyl-4-oxo-4-[3-[4-oxo-1-(1-oxooctadecyl)-1-piperazine-1,4-diiumyl]propylamino]butyl] ester IUPAC Name: [3-acetyloxy-2,2-dimethyl-4-[3-(1-octadecanoyl-4-oxopiperazine-1,4-diium-1-yl)propylamino]-4-oxobutyl] acetate Traditional Name: acetic acid [3-acetoxy-4-keto-4-[3-(4-keto-1-stearoyl-piperazine-1,4-diium-1-yl)propylamino]-2,2-dimethyl-butyl] ester Formula: C35H65N3O7+2 MolecularWeight: 639.9065

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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)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C35H64N3O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32(41)38(27-24-37(43)25-28-38)26-21-23-36-34(42)33(45-31(3)40)35(4,5)29-44-30(2)39/h33H,6-29H2,1-5H3/q+1/p+1