4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-nitro-phenolate

Systemtic Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-nitro-phenolate Openeye Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-nitro-phenolate CAS Name: 4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-nitrophenolate IUPAC Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-nitrophenolate Traditional Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-nitro-phenolate Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-2-14-5-7-15(8-6-14)10-11-3-4-13(17)12(9-11)16(18)19/h3-4,9,17H,2,5-8,10H2,1H3/p+1