6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one chloride

Systemtic Name: 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one chloride Openeye Name: 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one chloride CAS Name: 6-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-2-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridazinone chloride IUPAC Name: 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one chloride Traditional Name: 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one chloride Formula: C24H26ClN5O MolecularWeight: 435.94914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C(=O)C=CC(=N2)C3=C4C=CC=CN4N=C3C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C(=O)C=CC(=N2)C3=C4C=CC=CN4N=C3C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C24H25N5O.ClH/c30-22-13-12-20(25-29(22)18-17-27-14-6-2-7-15-27)23-21-11-5-8-16-28(21)26-24(23)19-9-3-1-4-10-19;/h1,3-5,8-13,16H,2,6-7,14-15,17-18H2;1H