2-[2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol

Systemtic Name: 2-[2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol Openeye Name: 2-[2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol CAS Name: 2-[2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-piperazine-1,4-diiumyl]ethoxy]ethanol IUPAC Name: 2-[2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol Traditional Name: 2-[2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol Formula: C16H25N3O6+2 MolecularWeight: 355.3862

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOCCO)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOCCO)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H23N3O6/c20-6-8-23-7-5-17-1-3-18(4-2-17)11-13-9-15-16(25-12-24-15)10-14(13)19(21)22/h9-10,20H,1-8,11-12H2/p+2