3-(4-azanylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4-azanylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4-aminopyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(4-amino-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(4-aminopyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4-aminopyridin-1-ium-1-yl)propane-1-sulfonate Formula: C8H12N2O3S MolecularWeight: 216.25748

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1N)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1N)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C8H12N2O3S/c9-8-2-5-10(6-3-8)4-1-7-14(11,12)13/h2-3,5-6,9H,1,4,7H2,(H,11,12,13)