1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-fluorobenzyl)-4-(3-nitrobenzyl)piperazin-4-ium Formula: C18H21FN3O2+ MolecularWeight: 330.376643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(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+1