2-[bis(1-oxidanylicosan-3-yl)amino]-2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[bis(1-oxidanylicosan-3-yl)amino]-2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[bis[1-(2-hydroxyethyl)octadecyl]amino]-2-(trimethylammonio)acetate CAS Name: 2-[bis(1-hydroxyeicosan-3-yl)amino]-2-(trimethylammonio)acetate IUPAC Name: 2-[bis(1-hydroxyicosan-3-yl)amino]-2-(trimethylazaniumyl)acetate Traditional Name: 2-[bis[1-(2-hydroxyethyl)octadecyl]amino]-2-(trimethylammonio)acetate Formula: C45H92N2O4 MolecularWeight: 725.22298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCO)N(C(CCCCCCCCCCCCCCCCC)CCO)C(C(=O)[O-])[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCO)N(C(CCCCCCCCCCCCCCCCC)CCO)C(C(=O)[O-])[N+](C)(C)C

InChI

InChI=1S/C45H92N2O4/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/h42-44,48-49H,6-41H2,1-5H3