3-pyridin-1-ium-1-ylpropane-1-sulfonate

Systemtic Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonate Openeye Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonate CAS Name: 3-(1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonate Traditional Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonate Formula: C8H11NO3S MolecularWeight: 201.24284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2