1-(phenylmethyl)pyridin-1-ium-3-sulfonic acid

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-3-sulfonic acid Openeye Name: 1-benzylpyridin-1-ium-3-sulfonic acid CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumsulfonic acid IUPAC Name: 1-benzylpyridin-1-ium-3-sulfonic acid Traditional Name: 1-benzylpyridin-1-ium-3-sulfonic acid Formula: C12H12NO3S+ MolecularWeight: 250.29358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3S/c14-17(15,16)12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2/p+1