N-[2-(4-methylphenyl)sulfanylethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-[2-(p-tolylsulfanyl)ethyl]pyridin-1-ium-2-amine CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-[2-(p-tolylthio)ethyl]amine Formula: C14H16N3O2S+ MolecularWeight: 290.36074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O2S/c1-11-4-6-12(7-5-11)20-10-9-16-14-13(17(18)19)3-2-8-15-14/h2-8H,9-10H2,1H3,(H,15,16)/p+1