1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C18H22FN3O2+2 MolecularWeight: 331.384583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)COCO3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)COCO3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H20FN3O2/c19-16-9-14(18-15(10-16)12-23-13-24-18)11-21-5-7-22(8-6-21)17-3-1-2-4-20-17/h1-4,9-10H,5-8,11-13H2/p+2