1-(1-propylpyridin-1-ium-2-yl)propane-1-sulfonic acid

Systemtic Name: 1-(1-propylpyridin-1-ium-2-yl)propane-1-sulfonic acid Openeye Name: 1-(1-propylpyridin-1-ium-2-yl)propane-1-sulfonic acid CAS Name: 1-(1-propyl-2-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 1-(1-propylpyridin-1-ium-2-yl)propane-1-sulfonic acid Traditional Name: 1-(1-propylpyridin-1-ium-2-yl)propane-1-sulfonic acid Formula: C11H18NO3S+ MolecularWeight: 244.33052

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC=C1C(CC)S(=O)(=O)O

Isomeric SMILES

CCC[N+]1=CC=CC=C1C(CC)S(=O)(=O)O

InChI

InChI=1S/C11H17NO3S/c1-3-8-12-9-6-5-7-10(12)11(4-2)16(13,14)15/h5-7,9,11H,3-4,8H2,1-2H3/p+1