2-[2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-methoxy-4-oxo-1-pyridyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-methoxy-4-oxopyridin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-keto-5-methoxy-1-pyridyl]-N-(3-nitrophenyl)acetamide Formula: C21H26N5O6+ MolecularWeight: 444.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC(=O)C(=CN2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC(=O)C(=CN2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N5O6/c1-15(27)24-8-6-23(7-9-24)12-18-11-19(28)20(32-2)13-25(18)14-21(29)22-16-4-3-5-17(10-16)26(30)31/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H,22,29)/p+1