dimethyl-(8-prop-2-enoyloxyoctyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: dimethyl-(8-prop-2-enoyloxyoctyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: dimethyl-(8-prop-2-enoyloxyoctyl)-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate CAS Name: dimethyl-[8-(1-oxoprop-2-enoxy)octyl]-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: dimethyl-(8-prop-2-enoyloxyoctyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: 8-acryloyloxyoctyl-dimethyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate Formula: C21H43N2O7S+ MolecularWeight: 467.64032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31NO5S.C5H11NO2/c1-4-16(18)22-14-10-8-6-5-7-9-12-17(2,3)13-11-15-23(19,20)21;1-6(2,3)4-5(7)8/h4H,1,5-15H2,2-3H3;4H2,1-3H3/p+1