6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one CAS Name: 6-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one Traditional Name: 2-benzyl-6-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O3/c30-24-9-7-22(26-29(24)18-19-4-2-1-3-5-19)25(31)28-13-11-27(12-14-28)17-20-6-8-23-21(16-20)10-15-32-23/h1-9,16H,10-15,17-18H2/p+1