2-carboxyethyl-dimethyl-(4-methyl-3-oxidanylidene-pent-4-en-2-yl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-carboxyethyl-dimethyl-(4-methyl-3-oxidanylidene-pent-4-en-2-yl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-carboxyethyl-(1,3-dimethyl-2-oxo-but-3-enyl)-dimethyl-ammonium; 2-(trimethylammonio)acetate CAS Name: 2-carboxyethyl-dimethyl-(4-methyl-3-oxopent-4-en-2-yl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: 2-carboxyethyl-dimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: 2-carboxyethyl-(2-keto-1,3-dimethyl-but-3-enyl)-dimethyl-ammonium; 2-(trimethylammonio)acetate Formula: C16H31N2O5+ MolecularWeight: 331.42774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO3.C5H11NO2/c1-8(2)11(15)9(3)12(4,5)7-6-10(13)14;1-6(2,3)4-5(7)8/h9H,1,6-7H2,2-5H3;4H2,1-3H3/p+1