[4-azaniumyl-2,3-bis[[(E)-octadec-9-enoyl]oxy]butyl]azanium iodide

Systemtic Name: [4-azaniumyl-2,3-bis[[(E)-octadec-9-enoyl]oxy]butyl]azanium iodide Openeye Name: [4-azaniumyl-2,3-bis[[(E)-octadec-9-enoyl]oxy]butyl]ammonium iodide CAS Name: [4-ammonio-2,3-bis[(E)-1-oxooctadec-9-enoxy]butyl]ammonium iodide IUPAC Name: [4-azaniumyl-2,3-bis[[(E)-octadec-9-enoyl]oxy]butyl]azanium iodide Traditional Name: [4-ammonio-2,3-bis[[(E)-octadec-9-enoyl]oxy]butyl]ammonium iodide Formula: C40H78IN2O4+ MolecularWeight: 777.96279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C[NH3+])C(C[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C(OC(=O)CCCCCCC/C=C/CCCCCCCC)C[NH3+])C[NH3+].[I-]

InChI

InChI=1S/C40H76N2O4.HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)45-37(35-41)38(36-42)46-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,37-38H,3-16,21-36,41-42H2,1-2H3;1H/p+1/b19-17+,20-18+;