N-[(3-fluorophenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(3-fluorophenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: (3-fluorobenzyl)-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C13H13FN3O2+ MolecularWeight: 262.259623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C13H12FN3O2/c1-16(9-10-4-2-5-11(14)8-10)13-12(17(18)19)6-3-7-15-13/h2-8H,9H2,1H3/p+1