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

Systemtic Name: 1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C15H20N3O5+ MolecularWeight: 322.3364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C15H19N3O5/c1-11(19)17-4-2-16(3-5-17)8-12-6-14(18(20)21)7-13-9-22-10-23-15(12)13/h6-7H,2-5,8-10H2,1H3/p+1