1-[[3-chloranyl-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-nitroso-methyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[[3-chloranyl-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-nitroso-methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-nitroso-methyl]piperazin-1-ium CAS Name: 1-[[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-nitrosomethyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-nitrosomethyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-nitroso-methyl]piperazin-1-ium Formula: C18H19ClF3N4O+ MolecularWeight: 399.81787

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=C3C(=CC(=CN3)C(F)(F)F)Cl)N=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=C3C(=CC(=CN3)C(F)(F)F)Cl)N=O

InChI

InChI=1S/C18H18ClF3N4O/c19-15-10-14(18(20,21)22)11-23-16(15)17(24-27)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h1-5,10-11,23H,6-9,12H2/p+1