1-[(4-fluorophenyl)methyl]-4-(5-nitropyridin-2-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-(5-nitropyridin-2-yl)-1,4-diazepan-1-ium Openeye Name: 1-[(4-fluorophenyl)methyl]-4-(5-nitro-2-pyridyl)-1,4-diazepan-1-ium CAS Name: 1-[(4-fluorophenyl)methyl]-4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-(5-nitropyridin-2-yl)-1,4-diazepan-1-ium Traditional Name: 1-(4-fluorobenzyl)-4-(5-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=NC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O2/c18-15-4-2-14(3-5-15)13-20-8-1-9-21(11-10-20)17-7-6-16(12-19-17)22(23)24/h2-7,12H,1,8-11,13H2/p+1