2-[[4-(phenylcarbonyl)piperidin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(phenylcarbonyl)piperidin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[(4-benzoylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one CAS Name: 2-[(4-benzoyl-1-piperidin-1-iumyl)methyl]-1-phthalazinone IUPAC Name: 2-[(4-benzoylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-benzoylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H21N3O2/c25-20(16-6-2-1-3-7-16)17-10-12-23(13-11-17)15-24-21(26)19-9-5-4-8-18(19)14-22-24/h1-9,14,17H,10-13,15H2/p+1