1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-2-morpholin-4-ium-4-yl-ethanone Formula: C16H22ClF3N4O2+2 MolecularWeight: 394.81969

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1COCC[NH+]1CC(=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C16H20ClF3N4O2/c17-13-9-12(16(18,19)20)10-21-15(13)24-3-1-23(2-4-24)14(25)11-22-5-7-26-8-6-22/h9-10H,1-8,11H2/p+2