dimethyl-(5-prop-2-enoyloxypentyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: dimethyl-(5-prop-2-enoyloxypentyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: dimethyl-(5-prop-2-enoyloxypentyl)-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate CAS Name: dimethyl-[5-(1-oxoprop-2-enoxy)pentyl]-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: dimethyl-(5-prop-2-enoyloxypentyl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: 5-acryloyloxypentyl-dimethyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate Formula: C18H37N2O7S+ MolecularWeight: 425.56058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO5S.C5H11NO2/c1-4-13(15)19-11-7-5-6-9-14(2,3)10-8-12-20(16,17)18;1-6(2,3)4-5(7)8/h4H,1,5-12H2,2-3H3;4H2,1-3H3/p+1