N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-2-[4-(dimethylamino)-6-oxidanylidene-pyridazin-1-yl]ethanamide

Systemtic Name: N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-2-[4-(dimethylamino)-6-oxidanylidene-pyridazin-1-yl]ethanamide Openeye Name: 2-[4-(dimethylamino)-6-oxo-pyridazin-1-yl]-N-(3-isoindolin-2-ium-2-ylpropyl)acetamide CAS Name: N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-2-[4-(dimethylamino)-6-oxo-1-pyridazinyl]acetamide IUPAC Name: N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide Traditional Name: 2-[4-(dimethylamino)-6-keto-pyridazin-1-yl]-N-(3-isoindolin-2-ium-2-ylpropyl)acetamide Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=O)N(N=C1)CC(=O)NCCC[NH+]2CC3=CC=CC=C3C2

Isomeric SMILES

CN(C)C1=CC(=O)N(N=C1)CC(=O)NCCC[NH+]2CC3=CC=CC=C3C2

InChI

InChI=1S/C19H25N5O2/c1-22(2)17-10-19(26)24(21-11-17)14-18(25)20-8-5-9-23-12-15-6-3-4-7-16(15)13-23/h3-4,6-7,10-11H,5,8-9,12-14H2,1-2H3,(H,20,25)/p+1