6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-phenyl-4,5-dihydropyridazin-3-one

Systemtic Name: 6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-phenyl-4,5-dihydropyridazin-3-one Openeye Name: 6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one CAS Name: 6-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-phenyl-4,5-dihydropyridazin-3-one IUPAC Name: 6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one Traditional Name: 2-phenyl-6-(4-veratrylpiperazin-4-ium-1-carbonyl)-4,5-dihydropyridazin-3-one Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H28N4O4/c1-31-21-10-8-18(16-22(21)32-2)17-26-12-14-27(15-13-26)24(30)20-9-11-23(29)28(25-20)19-6-4-3-5-7-19/h3-8,10,16H,9,11-15,17H2,1-2H3/p+1