3-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylimino]-2-cyano-butanamide

Systemtic Name: 3-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylimino]-2-cyano-butanamide Openeye Name: 3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylimino]-2-cyano-butanamide CAS Name: 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethylimino]-2-cyanobutanamide IUPAC Name: 3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylimino]-2-cyanobutanamide Traditional Name: 3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylimino]-2-cyano-butyramide Formula: C13H14ClF3N5O+ MolecularWeight: 348.73137

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl)C(C#N)C(=O)N

Isomeric SMILES

CC(=NCCNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl)C(C#N)C(=O)N

InChI

InChI=1S/C13H13ClF3N5O/c1-7(9(5-18)11(19)23)20-2-3-21-12-10(14)4-8(6-22-12)13(15,16)17/h4,6,9H,2-3H2,1H3,(H2,19,23)(H,21,22)/p+1