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

Systemtic Name: 5-nitro-2-piperazin-4-ium-1-yl-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 5-nitro-2-piperazin-4-ium-1-yl-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 5-nitro-2-(1-piperazin-4-iumyl)-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 5-nitro-2-piperazin-4-ium-1-yl-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 5-nitro-2-piperazin-4-ium-1-yl-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C18H18F3N4O3+ MolecularWeight: 395.35573

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O3/c19-18(20,21)12-2-1-3-13(10-12)23-17(26)15-11-14(25(27)28)4-5-16(15)24-8-6-22-7-9-24/h1-5,10-11,22H,6-9H2,(H,23,26)/p+1