1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-fluorobenzyl)-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C18H22FN3O2+2 MolecularWeight: 331.384583

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC(=CC=C3)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H20FN3O2/c19-17-5-1-3-15(11-17)13-20-7-9-21(10-8-20)14-16-4-2-6-18(12-16)22(23)24/h1-6,11-12H,7-10,13-14H2/p+2