4-phenyl-2-(piperidin-1-ium-1-ylmethyl)phthalazin-1-one

Systemtic Name: 4-phenyl-2-(piperidin-1-ium-1-ylmethyl)phthalazin-1-one Openeye Name: 4-phenyl-2-(piperidin-1-ium-1-ylmethyl)phthalazin-1-one CAS Name: 4-phenyl-2-(1-piperidin-1-iumylmethyl)-1-phthalazinone IUPAC Name: 4-phenyl-2-(piperidin-1-ium-1-ylmethyl)phthalazin-1-one Traditional Name: 4-phenyl-2-(piperidin-1-ium-1-ylmethyl)phthalazin-1-one Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O/c24-20-18-12-6-5-11-17(18)19(16-9-3-1-4-10-16)21-23(20)15-22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-15H2/p+1