6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O/c21-17-10-9-16(15-7-3-1-4-8-15)18-20(17)14-13-19-11-5-2-6-12-19/h1,3-4,7-10H,2,5-6,11-14H2/p+1