1-pyridin-1-ium-1-ylpropane-2-sulfonic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 1-pyridin-1-ium-1-ylpropane-2-sulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 1-pyridin-1-ium-1-ylpropane-2-sulfonic acid; 2-(trimethylammonio)acetate CAS Name: 1-(1-pyridin-1-iumyl)-2-propanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: 1-pyridin-1-ium-1-ylpropane-2-sulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 1-pyridin-1-ium-1-ylpropane-2-sulfonic acid; 2-(trimethylammonio)acetate Formula: C13H23N2O5S+ MolecularWeight: 319.39712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=CC=CC=C1)S(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CC(C[N+]1=CC=CC=C1)S(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C8H11NO3S.C5H11NO2/c1-8(13(10,11)12)7-9-5-3-2-4-6-9;1-6(2,3)4-5(7)8/h2-6,8H,7H2,1H3;4H2,1-3H3/p+1