N-[1-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]-6-oxidanylidene-1H-pyridazine-3-carboxamide

Systemtic Name: N-[1-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]-6-oxidanylidene-1H-pyridazine-3-carboxamide Openeye Name: N-[1-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: N-[1-[(1R)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-iumyl]-6-oxo-1H-pyridazine-3-carboxamide IUPAC Name: N-[1-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: N-[1-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]-6-keto-1H-pyridazine-3-carboxamide Formula: C18H22FN4O2+ MolecularWeight: 345.391283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)[NH+]2CCC(CC2)NC(=O)C3=NNC(=O)C=C3

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)F)[NH+]2CCC(CC2)NC(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C18H21FN4O2/c1-12(13-2-4-14(19)5-3-13)23-10-8-15(9-11-23)20-18(25)16-6-7-17(24)22-21-16/h2-7,12,15H,8-11H2,1H3,(H,20,25)(H,22,24)/p+1/t12-/m1/s1