N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-5-nitro-furan-2-carboxamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-5-nitro-2-furamide Formula: C22H22FN4O4+ MolecularWeight: 425.432883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN4O4/c23-19-4-2-1-3-16(19)15-25-11-13-26(14-12-25)18-7-5-17(6-8-18)24-22(28)20-9-10-21(31-20)27(29)30/h1-10H,11-15H2,(H,24,28)/p+1