2-(dimethylamino)icosanoate; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-(dimethylamino)icosanoate; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-(dimethylamino)icosanoate; 2-(trimethylammonio)acetate CAS Name: 2-(dimethylamino)eicosanoate; 2-(trimethylammonio)acetate IUPAC Name: 2-(dimethylamino)icosanoate; 2-(trimethylazaniumyl)acetate Traditional Name: 2-(dimethylamino)arachidate; 2-(trimethylammonio)acetate Formula: C27H55N2O4- MolecularWeight: 471.7366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(=O)[O-])N(C)C.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(=O)[O-])N(C)C.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C22H45NO2.C5H11NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)25)23(2)3;1-6(2,3)4-5(7)8/h21H,4-20H2,1-3H3,(H,24,25);4H2,1-3H3/p-1