dimethyl-(6-prop-2-enoyloxyhexyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: dimethyl-(6-prop-2-enoyloxyhexyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: dimethyl-(6-prop-2-enoyloxyhexyl)-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate CAS Name: dimethyl-[6-(1-oxoprop-2-enoxy)hexyl]-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: dimethyl-(6-prop-2-enoyloxyhexyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: 6-acryloyloxyhexyl-dimethyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate Formula: C19H39N2O7S+ MolecularWeight: 439.58716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27NO5S.C5H11NO2/c1-4-14(16)20-12-8-6-5-7-10-15(2,3)11-9-13-21(17,18)19;1-6(2,3)4-5(7)8/h4H,1,5-13H2,2-3H3;4H2,1-3H3/p+1