4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane

Systemtic Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane Openeye Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane IUPAC Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane Traditional Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane Formula: C15H20N3O4+ MolecularWeight: 306.337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C15H20N3O4/c19-17(20)14-7-12(15-13(8-14)10-21-11-22-15)9-18-4-1-16(2-5-18)3-6-18/h7-8H,1-6,9-11H2/q+1