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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H22N4O4/c24-23(25)18-9-15(19-16(10-18)13-26-14-27-19)11-21-5-7-22(8-6-21)12-17-3-1-2-4-20-17/h1-4,9-10H,5-8,11-14H2/p+1