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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C18H22N4O4+2 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c23-22(24)16-9-14(18-15(10-16)12-25-13-26-18)11-20-5-7-21(8-6-20)17-3-1-2-4-19-17/h1-4,9-10H,5-8,11-13H2/p+2