dimethyl-(7-prop-2-enoyloxyheptyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: dimethyl-(7-prop-2-enoyloxyheptyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: dimethyl-(7-prop-2-enoyloxyheptyl)-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate CAS Name: dimethyl-[7-(1-oxoprop-2-enoxy)heptyl]-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: dimethyl-(7-prop-2-enoyloxyheptyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: 7-acryloyloxyheptyl-dimethyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate Formula: C20H41N2O7S+ MolecularWeight: 453.61374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29NO5S.C5H11NO2/c1-4-15(17)21-13-9-7-5-6-8-11-16(2,3)12-10-14-22(18,19)20;1-6(2,3)4-5(7)8/h4H,1,5-14H2,2-3H3;4H2,1-3H3/p+1