1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazine-1,4-diium

Systemtic Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazine-1,4-diium Openeye Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperazine-1,4-diium IUPAC Name: 1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazine-1,4-diium Formula: C13H21N3O3+2 MolecularWeight: 267.32414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[NH+]2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[NH+]2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-11-2-3-13(12(10-11)16(17)18)19-9-8-15-6-4-14-5-7-15/h2-3,10,14H,4-9H2,1H3/p+2