2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethyl-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C16H16FN4O2+ MolecularWeight: 315.322243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCCC2=CC=CC=C2F)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCCC2=CC=CC=C2F)C#N

InChI

InChI=1S/C16H15FN4O2/c1-10-13(9-18)16(20-11(2)15(10)21(22)23)19-8-7-12-5-3-4-6-14(12)17/h3-6H,7-8H2,1-2H3,(H,19,20)/p+1