1-(2-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-(2-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(2-fluorophenyl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(2-fluorophenyl)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-6-methyl-4-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(2-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-6-methyl-4-oxopyridazine-3-carboxamide Traditional Name: 1-(2-fluorophenyl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-keto-6-methyl-pyridazine-3-carboxamide Formula: C23H26FN4O3+ MolecularWeight: 425.475943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C23H25FN4O3/c1-16-14-20(29)22(26-28(16)18-9-4-3-8-17(18)24)23(30)25-15-19(21-10-7-13-31-21)27-11-5-2-6-12-27/h3-4,7-10,13-14,19H,2,5-6,11-12,15H2,1H3,(H,25,30)/p+1/t19-/m0/s1