3-(3-prop-2-ynoxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3-prop-2-ynoxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(3-prop-2-ynoxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-[3-[oxo(prop-2-ynoxy)methyl]-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-(3-prop-2-ynoxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3-propargyloxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C12H14NO5S+ MolecularWeight: 284.30826

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)C1=C[N+](=CC=C1)CCCS(=O)(=O)O

Isomeric SMILES

C#CCOC(=O)C1=C[N+](=CC=C1)CCCS(=O)(=O)O

InChI

InChI=1S/C12H13NO5S/c1-2-8-18-12(14)11-5-3-6-13(10-11)7-4-9-19(15,16)17/h1,3,5-6,10H,4,7-9H2/p+1