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

Systemtic Name: 2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-nitro-phenolate Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c1-14-3-5-15(6-4-14)9-10-7-11(16(18)19)13(17)12(8-10)20-2/h7-8,17H,3-6,9H2,1-2H3