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

Systemtic Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethanol Formula: C14H21N3O5+2 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c18-6-5-15-1-3-16(4-2-15)9-11-7-13-14(22-10-21-13)8-12(11)17(19)20/h7-8,18H,1-6,9-10H2/p+2