6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one CAS Name: 6-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one Traditional Name: 2-benzyl-6-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c32-26-14-13-25(28-31(26)19-21-7-2-1-3-8-21)27(33)30-17-15-29(16-18-30)20-23-11-6-10-22-9-4-5-12-24(22)23/h1-14H,15-20H2/p+1