3-nitro-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzamide

Systemtic Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzamide Openeye Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzamide CAS Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]benzamide IUPAC Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzamide Traditional Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]benzamide Formula: C17H17F3N5O3+ MolecularWeight: 396.34379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N5O3/c18-17(19,20)12-2-4-15(22-10-12)24-7-5-23(6-8-24)13-3-1-11(16(21)26)9-14(13)25(27)28/h1-4,9-10H,5-8H2,(H2,21,26)/p+1