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

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-nitropyridin-2-one Traditional Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-2-pyridone Formula: C17H21N4O4+ MolecularWeight: 345.37304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-25-16-5-2-14(3-6-16)19-10-8-18(9-11-19)13-20-12-15(21(23)24)4-7-17(20)22/h2-7,12H,8-11,13H2,1H3/p+1