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

Systemtic Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid; 2-(trimethylammonio)acetate CAS Name: 3-(1-pyridin-1-iumyl)-1-propanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid; 2-(trimethylammonio)acetate Formula: C13H23N2O5S+ MolecularWeight: 319.39712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3S.C5H11NO2/c10-13(11,12)8-4-7-9-5-2-1-3-6-9;1-6(2,3)4-5(7)8/h1-3,5-6H,4,7-8H2;4H2,1-3H3/p+1