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

Systemtic Name: 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C22H30N4O3/c1-25-21(28)18-8-4-3-7-17(18)19(24-25)15-20(27)23-16-22(9-5-2-6-10-22)26-11-13-29-14-12-26/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,23,27)/p+1