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

Systemtic Name: 3-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C22H24N4O3/c1-25-22(28)19-9-5-4-8-18(19)20(24-25)21(27)23-14-16-6-2-3-7-17(16)15-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3,(H,23,27)/p+1