[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Openeye Name: [4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone CAS Name: [4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinyl]-[3-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Traditional Name: [4-(5-nitropyridin-1-ium-2-yl)piperazino]-[3-(trifluoromethyl)phenyl]methanone Formula: C17H16F3N4O3+ MolecularWeight: 381.32915

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O3/c18-17(19,20)13-3-1-2-12(10-13)16(25)23-8-6-22(7-9-23)15-5-4-14(11-21-15)24(26)27/h1-5,10-11H,6-9H2/p+1