2-[(E)-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(E)-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(E)-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(E)-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(E)-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(E)-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]hydrazono]methyl]-4-nitro-phenolate Formula: C14H20N5O4+ MolecularWeight: 322.3397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O4/c1-17-4-6-18(7-5-17)10-14(21)16-15-9-11-8-12(19(22)23)2-3-13(11)20/h2-3,8-9,20H,4-7,10H2,1H3,(H,16,21)/p+1/b15-9+