2-(2-phenoxyethyl)-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 2-(2-phenoxyethyl)-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-pyridazin-3-one Openeye Name: 2-(2-phenoxyethyl)-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]pyridazin-3-one CAS Name: 6-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]-2-(2-phenoxyethyl)-3-pyridazinone IUPAC Name: 2-(2-phenoxyethyl)-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]pyridazin-3-one Traditional Name: 2-(2-phenoxyethyl)-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]pyridazin-3-one Formula: C23H23F3N5O3+ MolecularWeight: 474.45563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H22F3N5O3/c24-23(25,26)17-6-8-20(27-16-17)29-10-12-30(13-11-29)22(33)19-7-9-21(32)31(28-19)14-15-34-18-4-2-1-3-5-18/h1-9,16H,10-15H2/p+1