3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-5-nitro-1H-pyridin-2-one

Systemtic Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-5-nitro-1H-pyridin-2-one Openeye Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-5-nitro-1H-pyridin-2-one CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-5-nitro-1H-pyridin-2-one IUPAC Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-5-nitro-1H-pyridin-2-one Traditional Name: 5-nitro-3-(4-p-anisylpiperazin-4-ium-1-carbonyl)-2-pyridone Formula: C18H21N4O5+ MolecularWeight: 373.38314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c1-27-15-4-2-13(3-5-15)12-20-6-8-21(9-7-20)18(24)16-10-14(22(25)26)11-19-17(16)23/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)/p+1