3-(3-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(3-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(3-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(3-tert-butyl-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(3-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonate Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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