3-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)phthalazine-1-carboxamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)[NH+]3CCOCC3

InChI

InChI=1S/C18H24N4O3/c1-18(2,22-8-10-25-11-9-22)12-19-16(23)15-13-6-4-5-7-14(13)17(24)21(3)20-15/h4-7H,8-12H2,1-3H3,(H,19,23)/p+1