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

Systemtic Name: 2-methoxyethyl-[4-[2-methoxyethyl-(3-methoxypropyl)-methyl-azaniumyl]-2,3-bis[[(E)-octadec-9-enoyl]oxy]butyl]-(3-methoxypropyl)-methyl-azanium Openeye Name: 2-methoxyethyl-[4-[2-methoxyethyl-(3-methoxypropyl)-methyl-ammonio]-2,3-bis[[(E)-octadec-9-enoyl]oxy]butyl]-(3-methoxypropyl)-methyl-ammonium CAS Name: 2-methoxyethyl-[4-[2-methoxyethyl-(3-methoxypropyl)-methylammonio]-2,3-bis[(E)-1-oxooctadec-9-enoxy]butyl]-(3-methoxypropyl)-methylammonium IUPAC Name: 2-methoxyethyl-[4-[2-methoxyethyl-(3-methoxypropyl)-methylazaniumyl]-2,3-bis[[(E)-octadec-9-enoyl]oxy]butyl]-(3-methoxypropyl)-methylazanium Traditional Name: 2-methoxyethyl-[4-[2-methoxyethyl-(3-methoxypropyl)-methyl-ammonio]-2,3-bis[[(E)-octadec-9-enoyl]oxy]butyl]-(3-methoxypropyl)-methyl-ammonium Formula: C56H110N2O8+2 MolecularWeight: 939.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C[N+](C)(CCCOC)CCOC)C(C[N+](C)(CCCOC)CCOC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C(OC(=O)CCCCCCC/C=C/CCCCCCCC)C[N+](CCOC)(CCCOC)C)C[N+](CCOC)(CCCOC)C

InChI

InChI=1S/C56H110N2O8/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-55(59)65-53(51-57(3,45-49-63-7)43-39-47-61-5)54(52-58(4,46-50-64-8)44-40-48-62-6)66-56(60)42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h23-26,53-54H,9-22,27-52H2,1-8H3/q+2/b25-23+,26-24+