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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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