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

Systemtic Name: 4-oxidanylidene-3-phenyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-phenyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[1-oxo-3-(1-piperidin-1-iumyl)propyl]-3-phenyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-phenyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide Traditional Name: 4-keto-3-phenyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)phthalazine-1-carbohydrazide Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c29-20(13-16-27-14-7-2-8-15-27)24-25-22(30)21-18-11-5-6-12-19(18)23(31)28(26-21)17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H,24,29)(H,25,30)/p+1