(E)-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]dodec-4-enoate

Systemtic Name: (E)-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]dodec-4-enoate Openeye Name: (E)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-dodec-4-enoate CAS Name: (E)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-4-dodecenoate IUPAC Name: (E)-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododec-4-enoate Traditional Name: (E)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-dodec-4-enoate Formula: C17H31NO4 MolecularWeight: 313.43234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC/C=C/C(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-]

InChI

InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-14(19)16(17(21)22)15(20)13-18(2,3)4/h11-12,15-16,20H,5-10,13H2,1-4H3/b12-11+