2-[1-(pyridin-2-ylmethyl)pyridin-1-ium-4-yl]ethanesulfonic acid

Systemtic Name: 2-[1-(pyridin-2-ylmethyl)pyridin-1-ium-4-yl]ethanesulfonic acid Openeye Name: 2-[1-(2-pyridylmethyl)pyridin-1-ium-4-yl]ethanesulfonic acid CAS Name: 2-[1-(2-pyridinylmethyl)-4-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-[1-(pyridin-2-ylmethyl)pyridin-1-ium-4-yl]ethanesulfonic acid Traditional Name: 2-[1-(2-pyridylmethyl)pyridin-1-ium-4-yl]ethanesulfonic acid Formula: C13H15N2O3S+ MolecularWeight: 279.3348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C[N+]2=CC=C(C=C2)CCS(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C[N+]2=CC=C(C=C2)CCS(=O)(=O)O

InChI

InChI=1S/C13H14N2O3S/c16-19(17,18)10-6-12-4-8-15(9-5-12)11-13-3-1-2-7-14-13/h1-5,7-9H,6,10-11H2/p+1