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

Systemtic Name: [2,2-dimethyl-4-[3-(1-octadecanoyl-4-oxidanylidene-piperazine-1,4-diium-1-yl)propylamino]-3-oxidanyl-4-oxidanylidene-butyl] benzoate Openeye Name: [3-hydroxy-2,2-dimethyl-4-[3-(1-octadecanoyl-4-oxo-piperazine-1,4-diium-1-yl)propylamino]-4-oxo-butyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-hydroxy-4-keto-4-[3-(4-keto-1-stearoyl-piperazine-1,4-diium-1-yl)propylamino]-2,2-dimethyl-butyl] ester Formula: C38H65N3O6+2 MolecularWeight: 659.9392

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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)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[N+]1(CC[N+](=O)CC1)CCCNC(=O)C(C(C)(C)COC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C38H64N3O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-34(42)41(30-27-40(46)28-31-41)29-22-26-39-36(44)35(43)38(2,3)32-47-37(45)33-23-19-18-20-24-33/h18-20,23-24,35,43H,4-17,21-22,25-32H2,1-3H3/q+1/p+1