[4-[1-(4-azaniumylbutanoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propan-2-yl]oxy-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[1-(4-azaniumylbutanoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propan-2-yl]oxy-4-oxidanylidene-butyl]azanium Openeye Name: [4-[1-(4-azaniumylbutanoyloxymethyl)-2-[(E)-octadec-9-enoyl]oxy-ethoxy]-4-oxo-butyl]ammonium CAS Name: [4-[1-(4-ammonio-1-oxobutoxy)-3-[(E)-1-oxooctadec-9-enoxy]propan-2-yl]oxy-4-oxobutyl]ammonium IUPAC Name: [4-[1-(4-azaniumylbutanoyloxy)-3-[(E)-octadec-9-enoyl]oxypropan-2-yl]oxy-4-oxobutyl]azanium Traditional Name: [4-[1-(4-ammoniobutanoyloxymethyl)-2-[(E)-octadec-9-enoyl]oxy-ethoxy]-4-keto-butyl]ammonium Formula: C29H56N2O6+2 MolecularWeight: 528.76474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCC[NH3+])OC(=O)CCC[NH3+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCC[NH3+])OC(=O)CCC[NH3+]

InChI

InChI=1S/C29H54N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(32)35-24-26(37-29(34)21-18-23-31)25-36-28(33)20-17-22-30/h9-10,26H,2-8,11-25,30-31H2,1H3/p+2/b10-9+