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

Systemtic Name: [1-(pyridin-4-ylmethyl)pyridin-1-ium-4-yl]methanesulfonic acid Openeye Name: [1-(4-pyridylmethyl)pyridin-1-ium-4-yl]methanesulfonic acid CAS Name: [1-(pyridin-4-ylmethyl)-4-pyridin-1-iumyl]methanesulfonic acid IUPAC Name: [1-(pyridin-4-ylmethyl)pyridin-1-ium-4-yl]methanesulfonic acid Traditional Name: [1-(4-pyridylmethyl)pyridin-1-ium-4-yl]methanesulfonic acid Formula: C12H13N2O3S+ MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C[N+]2=CC=C(C=C2)CS(=O)(=O)O

Isomeric SMILES

C1=CN=CC=C1C[N+]2=CC=C(C=C2)CS(=O)(=O)O

InChI

InChI=1S/C12H12N2O3S/c15-18(16,17)10-12-3-7-14(8-4-12)9-11-1-5-13-6-2-11/h1-8H,9-10H2/p+1