2-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-1-ium-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-1-ium-3-ylmethyl)ethanamide Openeye Name: 2-[1-oxo-4-(p-tolyl)phthalazin-2-yl]-N-(pyridin-1-ium-3-ylmethyl)acetamide CAS Name: 2-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]-N-(3-pyridin-1-iumylmethyl)acetamide IUPAC Name: 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(pyridin-1-ium-3-ylmethyl)acetamide Traditional Name: 2-[1-keto-4-(p-tolyl)phthalazin-2-yl]-N-(pyridin-1-ium-3-ylmethyl)acetamide Formula: C23H21N4O2+ MolecularWeight: 385.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C23H20N4O2/c1-16-8-10-18(11-9-16)22-19-6-2-3-7-20(19)23(29)27(26-22)15-21(28)25-14-17-5-4-12-24-13-17/h2-13H,14-15H2,1H3,(H,25,28)/p+1