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

Systemtic Name: 5-nitro-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyridin-2-one Openeye Name: 5-nitro-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyridin-2-one CAS Name: 5-nitro-1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-pyridinone IUPAC Name: 5-nitro-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyridin-2-one Traditional Name: 5-nitro-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-pyridone Formula: C15H19N5O3+2 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H17N5O3/c21-15-5-4-13(20(22)23)11-19(15)12-17-7-9-18(10-8-17)14-3-1-2-6-16-14/h1-6,11H,7-10,12H2/p+2