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

Systemtic Name: 2-methyl-4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H24N4O2/c1-27-24(30)22-12-5-4-11-21(22)23(26-27)25(31)29-15-13-28(14-16-29)17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12H,13-17H2,1H3/p+1