1-(phenylmethyl)-4-[2-(trioxidanylsulfanyl)ethyl]pyridin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-[2-(trioxidanylsulfanyl)ethyl]pyridin-1-ium Openeye Name: 1-benzyl-4-[2-(trioxidanylsulfanyl)ethyl]pyridin-1-ium CAS Name: 2-[1-(phenylmethyl)-4-pyridin-1-iumyl]ethanesulfenic acid hydroperoxy ester IUPAC Name: 1-benzyl-4-[2-(trioxidanylsulfanyl)ethyl]pyridin-1-ium Traditional Name: 1-benzyl-4-[2-(trioxidanylthio)ethyl]pyridin-1-ium Formula: C14H16NO3S+ MolecularWeight: 278.34674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3S/c16-17-18-19-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2/p+1