N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[[2-methyl-5-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]methyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]methyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-methyl-benzyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C23H26N4O3/c1-16-7-8-17(22-19-5-3-4-6-20(19)23(29)26(2)25-22)13-18(16)14-24-21(28)15-27-9-11-30-12-10-27/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)/p+1