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

Systemtic Name: 2-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-4-nitro-phenolate Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3/c1-14-4-6-15(7-5-14)13-9-10-8-11(16(18)19)2-3-12(10)17/h2-3,8-9,17H,4-7H2,1H3/b13-9-