N-[(4-fluorophenyl)methyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(4-fluorophenyl)methyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(4-fluorophenyl)methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(4-fluorophenyl)methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: (4-fluorobenzyl)-(3-nitropyridin-1-ium-2-yl)amine Formula: C12H11FN3O2+ MolecularWeight: 248.233043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C([NH+]=C1)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H10FN3O2/c13-10-5-3-9(4-6-10)8-15-12-11(16(17)18)2-1-7-14-12/h1-7H,8H2,(H,14,15)/p+1