2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-quinone Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C=CC(=O)N3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C=CC(=O)N3

InChI

InChI=1S/C16H20N4O3/c1-23-14-4-2-13(3-5-14)19-10-8-18(9-11-19)12-20-16(22)7-6-15(21)17-20/h2-7H,8-12H2,1H3,(H,17,21)/p+1