4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4/c1-3-15-4-6-16(7-5-15)10-11-8-12(17(19)20)14(18)13(9-11)21-2/h8-9,18H,3-7,10H2,1-2H3