[1-[1-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-4-yl]piperidin-4-yl]methylazanium

Systemtic Name: [1-[1-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-4-yl]piperidin-4-yl]methylazanium Openeye Name: [1-[1-[2-(3-fluorophenyl)-2-oxo-ethyl]-6-oxo-pyridazin-4-yl]-4-piperidyl]methylammonium CAS Name: [1-[1-[2-(3-fluorophenyl)-2-oxoethyl]-6-oxo-4-pyridazinyl]-4-piperidinyl]methylammonium IUPAC Name: [1-[1-[2-(3-fluorophenyl)-2-oxoethyl]-6-oxopyridazin-4-yl]piperidin-4-yl]methylazanium Traditional Name: [1-[1-[2-(3-fluorophenyl)-2-keto-ethyl]-6-keto-pyridazin-4-yl]-4-piperidyl]methylammonium Formula: C18H22FN4O2+ MolecularWeight: 345.391283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C[NH3+])C2=CC(=O)N(N=C2)CC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CCC1C[NH3+])C2=CC(=O)N(N=C2)CC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H21FN4O2/c19-15-3-1-2-14(8-15)17(24)12-23-18(25)9-16(11-21-23)22-6-4-13(10-20)5-7-22/h1-3,8-9,11,13H,4-7,10,12,20H2/p+1