2-[bis[(E)-1-oxidanylicos-11-en-3-yl]amino]-2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[bis[(E)-1-oxidanylicos-11-en-3-yl]amino]-2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[bis[(E)-1-(2-hydroxyethyl)octadec-9-enyl]amino]-2-(trimethylammonio)acetate CAS Name: 2-[bis[(E)-1-hydroxyeicos-11-en-3-yl]amino]-2-(trimethylammonio)acetate IUPAC Name: 2-[bis[(E)-1-hydroxyicos-11-en-3-yl]amino]-2-(trimethylazaniumyl)acetate Traditional Name: 2-[bis[(E)-1-(2-hydroxyethyl)octadec-9-enyl]amino]-2-(trimethylammonio)acetate Formula: C45H88N2O4 MolecularWeight: 721.19122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H88N2O4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(38-40-48)46(44(45(50)51)47(3,4)5)43(39-41-49)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42-44,48-49H,6-19,24-41H2,1-5H3/b22-20+,23-21+