2-[4,5-bis(bromanyl)-6-oxidanylidene-pyridazin-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[4,5-bis(bromanyl)-6-oxidanylidene-pyridazin-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4,5-dibromo-6-oxo-pyridazin-1-yl)acetamide CAS Name: 2-(4,5-dibromo-6-oxo-1-pyridazinyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4,5-dibromo-6-keto-pyridazin-1-yl)acetamide Formula: C18H21Br2N4O2+ MolecularWeight: 485.19294

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C(=O)C(=C(C=N2)Br)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C(=O)C(=C(C=N2)Br)Br)CC3=CC=CC=C3

InChI

InChI=1S/C18H20Br2N4O2/c19-15-10-21-24(18(26)17(15)20)12-16(25)22-14-6-8-23(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12H2,(H,22,25)/p+1