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

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C22H30FN4O2+ MolecularWeight: 401.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)F)C(=O)C3=NN(C(=O)C=C3)C

Isomeric SMILES

CCN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)F)C(=O)C3=NN(C(=O)C=C3)C

InChI

InChI=1S/C22H29FN4O2/c1-3-27(22(29)20-9-10-21(28)25(2)24-20)16-18-7-5-12-26(15-18)13-11-17-6-4-8-19(23)14-17/h4,6,8-10,14,18H,3,5,7,11-13,15-16H2,1-2H3/p+1/t18-/m0/s1