3-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propane-1-sulfonic acid Openeye Name: 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]propane-1-sulfonic acid CAS Name: 3-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]propane-1-sulfonic acid Traditional Name: 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]propane-1-sulfonic acid Formula: C10H15N2O4S+ MolecularWeight: 259.3021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O4S/c1-12-6-2-4-9(8-12)10(13)11-5-3-7-17(14,15)16/h2,4,6,8H,3,5,7H2,1H3,(H-,11,13,14,15,16)/p+1