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

Systemtic Name: 1-(2-fluorophenyl)-6-methyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(2-fluorophenyl)-6-methyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(2-fluorophenyl)-6-methyl-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(2-fluorophenyl)-6-methyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-oxopyridazine-3-carboxamide Traditional Name: 1-(2-fluorophenyl)-4-keto-6-methyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]pyridazine-3-carboxamide Formula: C24H28FN4O2S+ MolecularWeight: 455.568123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F)C4=CC=CS4

InChI

InChI=1S/C24H27FN4O2S/c1-16-9-11-28(12-10-16)20(22-8-5-13-32-22)15-26-24(31)23-21(30)14-17(2)29(27-23)19-7-4-3-6-18(19)25/h3-8,13-14,16,20H,9-12,15H2,1-2H3,(H,26,31)/p+1/t20-/m0/s1