(1-ethylbenzotriazol-5-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (1-ethylbenzotriazol-5-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (1-ethylbenzotriazol-5-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (1-ethyl-5-benzotriazolyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (1-ethylbenzotriazol-5-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (1-ethylbenzotriazol-5-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C19H20F3N6O+ MolecularWeight: 405.39691

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F)N=N1

InChI

InChI=1S/C19H19F3N6O/c1-2-28-16-5-3-13(11-15(16)24-25-28)18(29)27-9-7-26(8-10-27)17-6-4-14(12-23-17)19(20,21)22/h3-6,11-12H,2,7-10H2,1H3/p+1