3-methyl-4-oxidanylidene-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide

Systemtic Name: 3-methyl-4-oxidanylidene-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide Openeye Name: 3-methyl-4-oxo-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide CAS Name: 3-methyl-4-oxo-N'-[1-oxo-3-(1-piperidin-1-iumyl)propyl]-1-phthalazinecarbohydrazide IUPAC Name: 3-methyl-4-oxo-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide Traditional Name: 4-keto-3-methyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C18H23N5O3/c1-22-18(26)14-8-4-3-7-13(14)16(21-22)17(25)20-19-15(24)9-12-23-10-5-2-6-11-23/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,24)(H,20,25)/p+1