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

Systemtic Name: 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O2/c1-27-24(30)21-12-6-5-11-20(21)22(26-27)15-23(29)25-16-18-9-3-4-10-19(18)17-28-13-7-2-8-14-28/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,25,29)/p+1