3-(2-methylpropyl)-4-oxidanylidene-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide Openeye Name: 3-isobutyl-4-oxo-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide CAS Name: 3-(2-methylpropyl)-4-oxo-N'-[1-oxo-3-(1-piperidin-1-iumyl)propyl]-1-phthalazinecarbohydrazide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide Traditional Name: 3-isobutyl-4-keto-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3/c1-15(2)14-26-21(29)17-9-5-4-8-16(17)19(24-26)20(28)23-22-18(27)10-13-25-11-6-3-7-12-25/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,22,27)(H,23,28)/p+1