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

Systemtic Name: 1-pyridin-1-ium-1-ylpentane-2-sulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 1-pyridin-1-ium-1-ylpentane-2-sulfonic acid; 2-(trimethylammonio)acetate CAS Name: 1-(1-pyridin-1-iumyl)-2-pentanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: 1-pyridin-1-ium-1-ylpentane-2-sulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 1-pyridin-1-ium-1-ylpentane-2-sulfonic acid; 2-(trimethylammonio)acetate Formula: C15H27N2O5S+ MolecularWeight: 347.45028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO3S.C5H11NO2/c1-2-6-10(15(12,13)14)9-11-7-4-3-5-8-11;1-6(2,3)4-5(7)8/h3-5,7-8,10H,2,6,9H2,1H3;4H2,1-3H3/p+1