N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-6-oxidanylidene-N-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-6-oxidanylidene-N-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-6-oxo-N-(3-pyridylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-6-oxo-N-(3-pyridinylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-6-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-6-keto-N-(3-pyridylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)C(=O)C4=NNC(=O)CC4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)C(=O)C4=NNC(=O)CC4

InChI

InChI=1S/C23H33N5O2/c29-22-11-10-21(25-26-22)23(30)28(15-18-6-4-12-24-14-18)17-19-7-5-13-27(16-19)20-8-2-1-3-9-20/h4,6,12,14,19-20H,1-3,5,7-11,13,15-17H2,(H,26,29)/p+1/t19-/m0/s1