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

Systemtic Name: 1-[3-fluoranyl-4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H23FN3O5+ MolecularWeight: 416.422823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)F

InChI

InChI=1S/C21H22FN3O5/c1-14(26)15-2-3-20(19(22)10-15)24-6-4-23(5-7-24)11-16-8-18(25(27)28)9-17-12-29-13-30-21(16)17/h2-3,8-10H,4-7,11-13H2,1H3/p+1