4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-nitro-phenolate

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-nitro-phenolate Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-nitro-phenolate CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-nitrophenolate IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-nitrophenolate Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-nitro-phenolate Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+]1CCN(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