2-(3-azanylpropylamino)ethyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-dimethyl-azanium

Systemtic Name: 2-(3-azanylpropylamino)ethyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-dimethyl-azanium Openeye Name: 2-(3-aminopropylamino)ethyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-dimethyl-ammonium CAS Name: 2-(3-aminopropylamino)ethyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-dimethylammonium IUPAC Name: 2-(3-aminopropylamino)ethyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-dimethylazanium Traditional Name: 2-(3-aminopropylamino)ethyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-dimethyl-ammonium Formula: C46H94N3O2+ MolecularWeight: 721.25746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)CCNCCCN)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(C[N+](C)(C)CCNCCCN)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H94N3O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-50-45-46(44-49(3,4)41-40-48-39-37-38-47)51-43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,46,48H,5-18,23-45,47H2,1-4H3/q+1/b21-19+,22-20+