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

Systemtic Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[(1-methyl-1-piperidin-1-iumyl)methyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenylpyridazin-3-one Traditional Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenyl-pyridazin-3-one Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N3O/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/q+1