carboxymethyl-di(tridecan-2-yl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: carboxymethyl-di(tridecan-2-yl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: carboxymethyl-bis(1-methyldodecyl)ammonium; 2-(trimethylammonio)acetate CAS Name: carboxymethyl-di(tridecan-2-yl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: carboxymethyl-di(tridecan-2-yl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: carboxymethyl-bis(1-methyldodecyl)ammonium; 2-(trimethylammonio)acetate Formula: C33H69N2O4+ MolecularWeight: 557.91196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)[NH+](CC(=O)O)C(C)CCCCCCCCCCC.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(C)[NH+](CC(=O)O)C(C)CCCCCCCCCCC.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C28H57NO2.C5H11NO2/c1-5-7-9-11-13-15-17-19-21-23-26(3)29(25-28(30)31)27(4)24-22-20-18-16-14-12-10-8-6-2;1-6(2,3)4-5(7)8/h26-27H,5-25H2,1-4H3,(H,30,31);4H2,1-3H3/p+1