N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide Openeye Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide CAS Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide IUPAC Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide Traditional Name: 6-keto-N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-4,5-dihydro-1H-pyridazine-3-carboxamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)C3=NNC(=O)CC3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)C3=NNC(=O)CC3

InChI

InChI=1S/C21H30N4O3/c1-24(21(27)18-9-10-20(26)23-22-18)14-16-6-5-12-25(15-16)13-11-17-7-3-4-8-19(17)28-2/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1