1-[(4-fluorophenyl)methyl]-4-(3-nitropyridin-2-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-(3-nitropyridin-2-yl)-1,4-diazepan-1-ium Openeye Name: 1-[(4-fluorophenyl)methyl]-4-(3-nitro-2-pyridyl)-1,4-diazepan-1-ium CAS Name: 1-[(4-fluorophenyl)methyl]-4-(3-nitro-2-pyridinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-(3-nitropyridin-2-yl)-1,4-diazepan-1-ium Traditional Name: 1-(4-fluorobenzyl)-4-(3-nitro-2-pyridyl)-1,4-diazepan-1-ium Formula: C17H20FN4O2+ MolecularWeight: 331.364703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=C(C=CC=N2)[N+](=O)[O-])CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=C(C=CC=N2)[N+](=O)[O-])CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4O2/c18-15-6-4-14(5-7-15)13-20-9-2-10-21(12-11-20)17-16(22(23)24)3-1-8-19-17/h1,3-8H,2,9-13H2/p+1