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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H26N4O3/c1-18-15-22(30)24(26-29(18)21-5-3-2-4-6-21)25(31)28-12-10-27(11-13-28)17-19-7-8-23-20(16-19)9-14-32-23/h2-8,15-16H,9-14,17H2,1H3/p+1