3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2/c25-19-9-8-18(21-22-19)20(26)24-12-10-23(11-13-24)14-16-6-3-5-15-4-1-2-7-17(15)16/h1-9H,10-14H2,(H,22,25)/p+1