N-(3-nitrophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-(3-nitrophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(3-nitrophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(3-nitrophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C17H17F3N5O3+ MolecularWeight: 396.34379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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