4-[(R)-phenyl(piperidin-1-ium-1-yl)methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[(R)-phenyl(piperidin-1-ium-1-yl)methyl]-2H-phthalazin-1-one Openeye Name: 4-[(R)-phenyl(piperidin-1-ium-1-yl)methyl]-2H-phthalazin-1-one CAS Name: 4-[(R)-phenyl(1-piperidin-1-iumyl)methyl]-2H-phthalazin-1-one IUPAC Name: 4-[(R)-phenyl(piperidin-1-ium-1-yl)methyl]-2H-phthalazin-1-one Traditional Name: 4-[(R)-phenyl(piperidin-1-ium-1-yl)methyl]-2H-phthalazin-1-one Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=CC=C2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H21N3O/c24-20-17-12-6-5-11-16(17)18(21-22-20)19(15-9-3-1-4-10-15)23-13-7-2-8-14-23/h1,3-6,9-12,19H,2,7-8,13-14H2,(H,22,24)/p+1/t19-/m1/s1