4-octadecoxy-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-olate

Systemtic Name: 4-octadecoxy-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-olate Openeye Name: 4-octadecoxy-4-oxo-1-(trimethylammonio)butan-2-olate CAS Name: 4-octadecoxy-4-oxo-1-(trimethylammonio)-2-butanolate IUPAC Name: 4-octadecoxy-4-oxo-1-(trimethylazaniumyl)butan-2-olate Traditional Name: 4-keto-4-stearyloxy-1-(trimethylammonio)butan-2-olate Formula: C25H51NO3 MolecularWeight: 413.67734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)[O-]

InChI

InChI=1S/C25H51NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-25(28)22-24(27)23-26(2,3)4/h24H,5-23H2,1-4H3