2-[[(E)-octadec-9-enoyl]amino]-2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[[(E)-octadec-9-enoyl]amino]-2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[[(E)-octadec-9-enoyl]amino]-2-(trimethylammonio)acetate CAS Name: 2-[[(E)-1-oxooctadec-9-enyl]amino]-2-(trimethylammonio)acetate IUPAC Name: 2-[[(E)-octadec-9-enoyl]amino]-2-(trimethylazaniumyl)acetate Traditional Name: 2-[[(E)-octadec-9-enoyl]amino]-2-(trimethylammonio)acetate Formula: C23H44N2O3 MolecularWeight: 396.60706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H44N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(26)24-22(23(27)28)25(2,3)4/h12-13,22H,5-11,14-20H2,1-4H3,(H-,24,26,27,28)/b13-12+