2-(4-nitrophenyl)-5-propyl-4-[[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]methylidene]pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-5-propyl-4-[[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]methylidene]pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-5-propyl-4-[[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]methylene]pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-5-propyl-4-[[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methylidene]-3-pyrazolone IUPAC Name: 2-(4-nitrophenyl)-5-propyl-4-[[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]methylidene]pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-5-propyl-4-[[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]methylene]-2-pyrazolin-3-one Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2CC([NH2+]C(C2)(C)C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNC2CC([NH2+]C(C2)(C)C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O3/c1-6-7-19-18(14-23-15-12-21(2,3)25-22(4,5)13-15)20(28)26(24-19)16-8-10-17(11-9-16)27(29)30/h8-11,14-15,23,25H,6-7,12-13H2,1-5H3/p+1