4-(phenylmethylsulfanyl)pyridin-1-ium-3-sulfonate

Systemtic Name: 4-(phenylmethylsulfanyl)pyridin-1-ium-3-sulfonate Openeye Name: 4-benzylsulfanylpyridin-1-ium-3-sulfonate CAS Name: 4-(phenylmethylthio)-3-pyridin-1-iumsulfonate IUPAC Name: 4-benzylsulfanylpyridin-1-ium-3-sulfonate Traditional Name: 4-(benzylthio)pyridin-1-ium-3-sulfonate Formula: C12H11NO3S2 MolecularWeight: 281.35064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=[NH+]C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=[NH+]C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C12H11NO3S2/c14-18(15,16)12-8-13-7-6-11(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15,16)