5-nitro-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyridin-2-one

Systemtic Name: 5-nitro-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyridin-2-one Openeye Name: 5-nitro-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyridin-2-one CAS Name: 5-nitro-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-pyridinone IUPAC Name: 5-nitro-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyridin-2-one Traditional Name: 5-nitro-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-2-pyridone Formula: C14H17N6O3+ MolecularWeight: 317.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C14H16N6O3/c21-13-3-2-12(20(22)23)10-19(13)11-17-6-8-18(9-7-17)14-15-4-1-5-16-14/h1-5,10H,6-9,11H2/p+1