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1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-(4-nitrophenyl)piperazin-1-ium

1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name:1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-(4-nitrophenyl)piperazin-1-ium
Openeye Name:1-[(2,5-difluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium
CAS Name:1-[(2,5-difluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium
IUPAC Name:1-[(2,5-difluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium
Traditional Name:1-(2,5-difluorobenzyl)-4-(4-nitrophenyl)piperazin-1-ium
Formula: C17H18F2N3O2+
MolecularWeight: 334.340526
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)F)F)C3=CC=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)F)F)C3=CC=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C17H17F2N3O2/c18-14-1-6-17(19)13(11-14)12-20-7-9-21(10-8-20)15-2-4-16(5-3-15)22(23)24/h1-6,11H,7-10,12H2/p+1


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