2-methyl-4-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-methyl-4-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one CAS Name: 2-methyl-4-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-2-methyl-phthalazin-1-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H23N5O2/c1-24-21(28)18-5-3-2-4-17(18)19(23-24)14-20(27)26-12-10-25(11-13-26)15-16-6-8-22-9-7-16/h2-9H,10-15H2,1H3/p+1