4-oxidanylidene-3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c33-27(29-19-21-11-5-6-12-22(21)20-31-17-9-2-10-18-31)26-24-15-7-8-16-25(24)28(34)32(30-26)23-13-3-1-4-14-23/h1,3-8,11-16H,2,9-10,17-20H2,(H,29,33)/p+1