2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazin-1-one

Systemtic Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazin-1-one CAS Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1-phthalazinone IUPAC Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazin-1-one Formula: C20H20N3O+ MolecularWeight: 318.3923

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H19N3O/c24-20-19-9-5-4-8-18(19)14-21-23(20)15-22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-10,14H,11-13,15H2/p+1