2-nitro-4-[(E)-(3-piperidin-1-ium-1-ylpropanoylhydrazinylidene)methyl]phenolate

Systemtic Name: 2-nitro-4-[(E)-(3-piperidin-1-ium-1-ylpropanoylhydrazinylidene)methyl]phenolate Openeye Name: 2-nitro-4-[(E)-(3-piperidin-1-ium-1-ylpropanoylhydrazono)methyl]phenolate CAS Name: 2-nitro-4-[(E)-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-nitro-4-[(E)-(3-piperidin-1-ium-1-ylpropanoylhydrazinylidene)methyl]phenolate Traditional Name: 2-nitro-4-[(E)-(3-piperidin-1-ium-1-ylpropanoylhydrazono)methyl]phenolate Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NN=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)N/N=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O4/c20-14-5-4-12(10-13(14)19(22)23)11-16-17-15(21)6-9-18-7-2-1-3-8-18/h4-5,10-11,20H,1-3,6-9H2,(H,17,21)/b16-11+