(2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)-2-(2-oxidanylidenepyridin-1-yl)propane-1,3-dione

Systemtic Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)-2-(2-oxidanylidenepyridin-1-yl)propane-1,3-dione Openeye Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)-2-(2-oxo-1-pyridyl)propane-1,3-dione CAS Name: (2S)-1-(4-methyl-1-piperazin-4-iumyl)-3-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione IUPAC Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)-2-(2-oxopyridin-1-yl)propane-1,3-dione Traditional Name: (2S)-2-(2-keto-1-pyridyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)propane-1,3-dione Formula: C19H21N4O5+ MolecularWeight: 385.39384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C=CC=CC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C=CC=CC3=O

InChI

InChI=1S/C19H20N4O5/c1-20-9-11-21(12-10-20)19(26)17(22-8-3-2-7-16(22)24)18(25)14-5-4-6-15(13-14)23(27)28/h2-8,13,17H,9-12H2,1H3/p+1/t17-/m0/s1