6-methyl-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: 6-methyl-4-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C25H26F3N4O2+ MolecularWeight: 471.49475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25F3N4O2/c1-17-14-22(33)23(30-32(17)21-9-5-8-19(15-21)25(26,27)28)24(34)29-20-10-12-31(13-11-20)16-18-6-3-2-4-7-18/h2-9,14-15,20H,10-13,16H2,1H3,(H,29,34)/p+1