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

Systemtic Name: 3-methyl-N-[4-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[4-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]phthalazine-1-carboxamide Formula: C22H24N5O4+ MolecularWeight: 422.45706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)NC(=O)C[NH+]4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)NC(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H23N5O4/c1-26-22(30)18-5-3-2-4-17(18)20(25-26)21(29)24-16-8-6-15(7-9-16)23-19(28)14-27-10-12-31-13-11-27/h2-9H,10-14H2,1H3,(H,23,28)(H,24,29)/p+1