dimethyl-(4-prop-2-enoyloxybutyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: dimethyl-(4-prop-2-enoyloxybutyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: dimethyl-(4-prop-2-enoyloxybutyl)-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate CAS Name: dimethyl-[4-(1-oxoprop-2-enoxy)butyl]-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: dimethyl-(4-prop-2-enoyloxybutyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: 4-acryloyloxybutyl-dimethyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate Formula: C17H35N2O7S+ MolecularWeight: 411.534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO5S.C5H11NO2/c1-4-12(14)18-10-6-5-8-13(2,3)9-7-11-19(15,16)17;1-6(2,3)4-5(7)8/h4H,1,5-11H2,2-3H3;4H2,1-3H3/p+1