4,5-bis(chloranyl)-2-[[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[(4-p-anisoylpiperidin-1-ium-1-yl)methyl]pyridazin-3-one Formula: C18H20Cl2N3O3+ MolecularWeight: 397.2757

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CN3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CN3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O3/c1-26-14-4-2-12(3-5-14)17(24)13-6-8-22(9-7-13)11-23-18(25)16(20)15(19)10-21-23/h2-5,10,13H,6-9,11H2,1H3/p+1