5-nitro-N-(2-phenylsulfanylethyl)pyridin-1-ium-2-amine

Systemtic Name: 5-nitro-N-(2-phenylsulfanylethyl)pyridin-1-ium-2-amine Openeye Name: 5-nitro-N-(2-phenylsulfanylethyl)pyridin-1-ium-2-amine CAS Name: 5-nitro-N-[2-(phenylthio)ethyl]-2-pyridin-1-iumamine IUPAC Name: 5-nitro-N-(2-phenylsulfanylethyl)pyridin-1-ium-2-amine Traditional Name: (5-nitropyridin-1-ium-2-yl)-[2-(phenylthio)ethyl]amine Formula: C13H14N3O2S+ MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O2S/c17-16(18)11-6-7-13(15-10-11)14-8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,14,15)/p+1