3-(4-methylphenyl)-1-(piperidin-1-ylmethyl)-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-(4-methylphenyl)-1-(piperidin-1-ylmethyl)-3H-pyridazin-1-ium-6-one Openeye Name: 1-(1-piperidylmethyl)-3-(p-tolyl)-3H-pyridazin-1-ium-6-one CAS Name: 3-(4-methylphenyl)-1-(1-piperidinylmethyl)-3H-pyridazin-1-ium-6-one IUPAC Name: 3-(4-methylphenyl)-1-(piperidin-1-ylmethyl)-3H-pyridazin-1-ium-6-one Traditional Name: 1-(piperidinomethyl)-3-(p-tolyl)-3H-pyridazin-1-ium-6-one Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C=CC(=O)[N+](=N2)CN3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2C=CC(=O)[N+](=N2)CN3CCCCC3

InChI

InChI=1S/C17H22N3O/c1-14-5-7-15(8-6-14)16-9-10-17(21)20(18-16)13-19-11-3-2-4-12-19/h5-10,16H,2-4,11-13H2,1H3/q+1