N-[(1R)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(1R)-1-(3,4-difluorophenyl)ethyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C13H12F2N3O2+ MolecularWeight: 280.250086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)F)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC(=C(C=C1)F)F)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C13H11F2N3O2/c1-8(9-4-5-10(14)11(15)7-9)17-13-12(18(19)20)3-2-6-16-13/h2-8H,1H3,(H,16,17)/p+1/t8-/m1/s1