3-(4-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(4-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(4-tert-butyl-1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(4-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C12H20NO3S+ MolecularWeight: 258.3571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3S/c1-12(2,3)11-5-8-13(9-6-11)7-4-10-17(14,15)16/h5-6,8-9H,4,7,10H2,1-3H3/p+1