N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-4-nitro-benzamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-4-nitro-benzamide Formula: C15H13ClF3N4O3+ MolecularWeight: 389.73693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClF3N4O3/c16-12-7-10(15(17,18)19)8-22-13(12)20-5-6-21-14(24)9-1-3-11(4-2-9)23(25)26/h1-4,7-8H,5-6H2,(H,20,22)(H,21,24)/p+1