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

Systemtic Name: 2-carboxyethyl-diethyl-(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)-diethyl-ammonium; 2-(trimethylammonio)acetate CAS Name: 2-carboxyethyl-diethyl-(4-methyl-3-oxopent-4-en-2-yl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: 2-carboxyethyl-diethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: 2-carboxyethyl-diethyl-(2-keto-1,3-dimethyl-but-3-enyl)ammonium; 2-(trimethylammonio)acetate Formula: C18H35N2O5+ MolecularWeight: 359.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO3.C5H11NO2/c1-6-14(7-2,9-8-12(15)16)11(5)13(17)10(3)4;1-6(2,3)4-5(7)8/h11H,3,6-9H2,1-2,4-5H3;4H2,1-3H3/p+1