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

Systemtic Name: 4-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]-2H-phthalazin-1-one Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H24N4O2/c30-24(16-23-21-10-3-4-11-22(21)25(31)27-26-23)29-14-12-28(13-15-29)17-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2,(H,27,31)/p+1