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

Systemtic Name: 5-nitro-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridin-2-one Openeye Name: 5-nitro-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridin-2-one CAS Name: 5-nitro-1-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-2-pyridinone IUPAC Name: 5-nitro-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridin-2-one Traditional Name: 5-nitro-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-2-pyridone Formula: C16H18F3N5O3+2 MolecularWeight: 385.34103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N5O3/c17-16(18,19)12-1-3-14(20-9-12)22-7-5-21(6-8-22)11-23-10-13(24(26)27)2-4-15(23)25/h1-4,9-10H,5-8,11H2/p+2