1-hydroxyethyl-bis(2-oxidanyldodecyl)-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 1-hydroxyethyl-bis(2-oxidanyldodecyl)-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: 1-carboxybutyl-bis(2-hydroxydodecyl)-(1-hydroxyethyl)ammonium; 2-(trimethylammonio)acetate CAS Name: bis(2-hydroxydodecyl)-(1-hydroxyethyl)-(1-hydroxy-1-oxopentan-2-yl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: bis(2-hydroxydodecyl)-(1-hydroxyethyl)-(1-hydroxy-1-oxopentan-2-yl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: 1-carboxybutyl-bis(2-hydroxydodecyl)-(1-hydroxyethyl)ammonium; 2-(trimethylammonio)acetate Formula: C36H75N2O7+ MolecularWeight: 647.9899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](CC(CCCCCCCCCC)O)(C(C)O)C(CCC)C(=O)O)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C[N+](CC(CCCCCCCCCC)O)(C(C)O)C(CCC)C(=O)O)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C31H63NO5.C5H11NO2/c1-5-8-10-12-14-16-18-20-23-28(34)25-32(27(4)33,30(22-7-3)31(36)37)26-29(35)24-21-19-17-15-13-11-9-6-2;1-6(2,3)4-5(7)8/h27-30,33-35H,5-26H2,1-4H3;4H2,1-3H3/p+1