5-[4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one

Systemtic Name: 5-[4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Openeye Name: 5-[4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one CAS Name: 5-[4-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-1-piperazin-4-iumyl]-2-methyl-3-pyridazinone IUPAC Name: 5-[4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-1-yl]-2-methylpyridazin-3-one Traditional Name: 5-[4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC4=C(C(=CC=C4)OC)OC3

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC4=C(C(=CC=C4)OC)OC3

InChI

InChI=1S/C20H24N4O3/c1-22-19(25)11-17(12-21-22)24-8-6-23(7-9-24)13-15-10-16-4-3-5-18(26-2)20(16)27-14-15/h3-5,10-12H,6-9,13-14H2,1-2H3/p+1