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

Systemtic Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-nitro-phenolate Openeye Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-nitro-phenolate CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-nitrophenolate IUPAC Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-nitrophenolate Traditional Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-nitro-phenolate Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c1-13-4-6-14(7-5-13)9-10-2-3-12(16)11(8-10)15(17)18/h2-3,8,16H,4-7,9H2,1H3