3-(2-butan-2-ylpyridin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-butan-2-ylpyridin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(2-sec-butylpyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(2-butan-2-yl-1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(2-butan-2-ylpyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(2-sec-butylpyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C12H20NO3S+ MolecularWeight: 258.3571

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=[N+]1CCCS(=O)(=O)O

Isomeric SMILES

CCC(C)C1=CC=CC=[N+]1CCCS(=O)(=O)O

InChI

InChI=1S/C12H19NO3S/c1-3-11(2)12-7-4-5-8-13(12)9-6-10-17(14,15)16/h4-5,7-8,11H,3,6,9-10H2,1-2H3/p+1