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

Systemtic Name: 2-[[(E)-2,2-dimethyloctadec-9-enoyl]amino]-2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[[(E)-2,2-dimethyloctadec-9-enoyl]amino]-2-(trimethylammonio)acetate CAS Name: 2-[[(E)-2,2-dimethyl-1-oxooctadec-9-enyl]amino]-2-(trimethylammonio)acetate IUPAC Name: 2-[[(E)-2,2-dimethyloctadec-9-enoyl]amino]-2-(trimethylazaniumyl)acetate Traditional Name: 2-[[(E)-2,2-dimethyloctadec-9-enoyl]amino]-2-(trimethylammonio)acetate Formula: C25H48N2O3 MolecularWeight: 424.66022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(2,3)24(30)26-22(23(28)29)27(4,5)6/h14-15,22H,7-13,16-21H2,1-6H3,(H-,26,28,29,30)/b15-14+