2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenyl-pyridazin-3-one bromide

Systemtic Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenyl-pyridazin-3-one bromide Openeye Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenyl-pyridazin-3-one bromide CAS Name: 2-[(1-methyl-1-piperidin-1-iumyl)methyl]-6-phenyl-3-pyridazinone bromide IUPAC Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenylpyridazin-3-one bromide Traditional Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenyl-pyridazin-3-one bromide Formula: C17H22BrN3O MolecularWeight: 364.28008

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CN2C(=O)C=CC(=N2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CN2C(=O)C=CC(=N2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H22N3O.BrH/c1-20(12-6-3-7-13-20)14-19-17(21)11-10-16(18-19)15-8-4-2-5-9-15;/h2,4-5,8-11H,3,6-7,12-14H2,1H3;1H/q+1;/p-1