3-(dimethylamino)propyl-hexadecanoyl-(2-oxidanyl-3-oxidanylidene-octadecyl)azanium

Systemtic Name: 3-(dimethylamino)propyl-hexadecanoyl-(2-oxidanyl-3-oxidanylidene-octadecyl)azanium Openeye Name: 3-(dimethylamino)propyl-hexadecanoyl-(2-hydroxy-3-oxo-octadecyl)ammonium CAS Name: 3-(dimethylamino)propyl-(2-hydroxy-3-oxooctadecyl)-(1-oxohexadecyl)ammonium IUPAC Name: 3-(dimethylamino)propyl-hexadecanoyl-(2-hydroxy-3-oxooctadecyl)azanium Traditional Name: 3-(dimethylamino)propyl-hexadecanoyl-(2-hydroxy-3-keto-octadecyl)ammonium Formula: C39H79N2O3+ MolecularWeight: 624.05616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C[NH+](CCCN(C)C)C(=O)CCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C[NH+](CCCN(C)C)C(=O)CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C39H78N2O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-32-37(42)38(43)36-41(35-31-34-40(3)4)39(44)33-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h38,43H,5-36H2,1-4H3/p+1