5-chloranyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-(4-veratrylpiperazin-4-ium-1-yl)-1H-pyridazin-6-one Formula: C17H22ClN4O3+ MolecularWeight: 365.83458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O3/c1-24-14-4-3-12(9-15(14)25-2)11-21-5-7-22(8-6-21)13-10-19-20-17(23)16(13)18/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,23)/p+1