1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C19H21FN3O4+ MolecularWeight: 374.386143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)COCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)COCO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O4/c20-16-9-14(19-15(10-16)12-26-13-27-19)11-21-5-7-22(8-6-21)17-1-3-18(4-2-17)23(24)25/h1-4,9-10H,5-8,11-13H2/p+1