[3-(docosanoylamino)-2-oxidanyl-3-(18-oxidanylideneoctadecoxy)propyl]-dimethyl-propyl-azanium

Systemtic Name: [3-(docosanoylamino)-2-oxidanyl-3-(18-oxidanylideneoctadecoxy)propyl]-dimethyl-propyl-azanium Openeye Name: [3-(docosanoylamino)-2-hydroxy-3-(18-oxooctadecoxy)propyl]-dimethyl-propyl-ammonium CAS Name: [2-hydroxy-3-(1-oxodocosylamino)-3-(18-oxooctadecoxy)propyl]-dimethyl-propylammonium IUPAC Name: [3-(docosanoylamino)-2-hydroxy-3-(18-oxooctadecoxy)propyl]-dimethyl-propylazanium Traditional Name: [3-(docosanoylamino)-2-hydroxy-3-(18-ketooctadecoxy)propyl]-dimethyl-propyl-ammonium Formula: C48H97N2O4+ MolecularWeight: 766.29478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(C[N+](C)(C)CCC)O)OCCCCCCCCCCCCCCCCCC=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(C[N+](C)(C)CCC)O)OCCCCCCCCCCCCCCCCCC=O

InChI

InChI=1S/C48H96N2O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-38-41-47(53)49-48(46(52)45-50(3,4)42-6-2)54-44-40-37-34-31-28-25-22-19-18-21-24-27-30-33-36-39-43-51/h43,46,48,52H,5-42,44-45H2,1-4H3/p+1