2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(6-oxo-3-phenyl-pyridazin-1-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(6-oxo-3-phenyl-1-pyridazinyl)-N-[3-(1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(6-keto-3-phenyl-pyridazin-1-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2/c25-19(21-12-7-15-23-13-5-2-6-14-23)16-24-20(26)11-10-18(22-24)17-8-3-1-4-9-17/h1,3-4,8-11H,2,5-7,12-16H2,(H,21,25)/p+1