4-(phenylsulfanylmethyl)pyridin-1-ium-2-ol

Systemtic Name: 4-(phenylsulfanylmethyl)pyridin-1-ium-2-ol Openeye Name: 4-(phenylsulfanylmethyl)pyridin-1-ium-2-ol CAS Name: 4-[(phenylthio)methyl]-2-pyridin-1-iumol IUPAC Name: 4-(phenylsulfanylmethyl)pyridin-1-ium-2-ol Traditional Name: 4-[(phenylthio)methyl]pyridin-1-ium-2-ol Formula: C12H12NOS+ MolecularWeight: 218.29478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC(=[NH+]C=C2)O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC(=[NH+]C=C2)O

InChI

InChI=1S/C12H11NOS/c14-12-8-10(6-7-13-12)9-15-11-4-2-1-3-5-11/h1-8H,9H2,(H,13,14)/p+1