3-oxidanylidene-2-[2-(trimethylazaniumyl)-1-undecoxy-ethyl]octadecanoate

Systemtic Name: 3-oxidanylidene-2-[2-(trimethylazaniumyl)-1-undecoxy-ethyl]octadecanoate Openeye Name: 3-oxo-2-[2-(trimethylammonio)-1-undecoxy-ethyl]octadecanoate CAS Name: 3-oxo-2-[2-(trimethylammonio)-1-undecoxyethyl]octadecanoate IUPAC Name: 3-oxo-2-[2-(trimethylazaniumyl)-1-undecoxyethyl]octadecanoate Traditional Name: 3-keto-2-[2-(trimethylammonio)-1-undecoxy-ethyl]stearate Formula: C34H67NO4 MolecularWeight: 553.90008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C[N+](C)(C)C)OCCCCCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(C[N+](C)(C)C)OCCCCCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C34H67NO4/c1-6-8-10-12-14-16-17-18-19-20-22-24-26-28-31(36)33(34(37)38)32(30-35(3,4)5)39-29-27-25-23-21-15-13-11-9-7-2/h32-33H,6-30H2,1-5H3