4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C24H23N4O2+ MolecularWeight: 399.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H22N4O2/c29-23-21-11-4-3-10-20(21)22(25-26-23)24(30)28-14-12-27(13-15-28)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2,(H,26,29)/p+1