2-(1-methylpyridin-1-ium-4-yl)ethanesulfonic acid

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)ethanesulfonic acid Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)ethanesulfonic acid CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)ethanesulfonic acid IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)ethanesulfonic acid Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)ethanesulfonic acid Formula: C8H12NO3S+ MolecularWeight: 202.25078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3S/c1-9-5-2-8(3-6-9)4-7-13(10,11)12/h2-3,5-6H,4,7H2,1H3/p+1