3-[[(E)-octadec-9-enoyl]amino]-4-oxidanyl-4-oxidanylidene-2-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[[(E)-octadec-9-enoyl]amino]-4-oxidanyl-4-oxidanylidene-2-(trimethylazaniumyl)butanoate Openeye Name: 4-hydroxy-3-[[(E)-octadec-9-enoyl]amino]-4-oxo-2-(trimethylammonio)butanoate CAS Name: 4-hydroxy-4-oxo-3-[[(E)-1-oxooctadec-9-enyl]amino]-2-(trimethylammonio)butanoate IUPAC Name: 4-hydroxy-3-[[(E)-octadec-9-enoyl]amino]-4-oxo-2-(trimethylazaniumyl)butanoate Traditional Name: 4-hydroxy-4-keto-3-[[(E)-octadec-9-enoyl]amino]-2-(trimethylammonio)butyrate Formula: C25H46N2O5 MolecularWeight: 454.64314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C(C(=O)[O-])[N+](C)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C(C(=O)[O-])[N+](C)(C)C)C(=O)O

InChI

InChI=1S/C25H46N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(28)26-22(24(29)30)23(25(31)32)27(2,3)4/h12-13,22-23H,5-11,14-20H2,1-4H3,(H2-,26,28,29,30,31,32)/b13-12+