1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)-2-furanyl]methyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium Formula: C21H21FN3O3+ MolecularWeight: 382.408143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O3/c22-18-6-2-4-8-20(18)24-13-11-23(12-14-24)15-16-9-10-21(28-16)17-5-1-3-7-19(17)25(26)27/h1-10H,11-15H2/p+1