4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-(3-methyl-4-oxo-phthalazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-(3-methyl-4-oxo-1-phthalazinyl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-(4-keto-3-methyl-phthalazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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