[2-[1,4-dioctadecoxy-1,4-bis(oxidanylidene)butan-2-yl]oxy-2-oxidanylidene-ethyl]-trimethyl-azanium

Systemtic Name: [2-[1,4-dioctadecoxy-1,4-bis(oxidanylidene)butan-2-yl]oxy-2-oxidanylidene-ethyl]-trimethyl-azanium Openeye Name: trimethyl-[2-(3-octadecoxy-1-octadecoxycarbonyl-3-oxo-propoxy)-2-oxo-ethyl]ammonium CAS Name: [2-(1,4-dioctadecoxy-1,4-dioxobutan-2-yl)oxy-2-oxoethyl]-trimethylammonium IUPAC Name: [2-(1,4-dioctadecoxy-1,4-dioxobutan-2-yl)oxy-2-oxoethyl]-trimethylazanium Traditional Name: [2-keto-2-(3-keto-3-stearyloxy-1-stearyloxycarbonyl-propoxy)ethyl]-trimethyl-ammonium Formula: C45H88NO6+ MolecularWeight: 739.18332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCC)OC(=O)C[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCC)OC(=O)C[N+](C)(C)C

InChI

InChI=1S/C45H88NO6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50-43(47)40-42(52-44(48)41-46(3,4)5)45(49)51-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/q+1