2-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[(2R)-2-(p-tolyl)pyrrolidin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[(2R)-2-(4-methylphenyl)-1-pyrrolidin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[(2R)-2-(p-tolyl)pyrrolidin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H21N3O/c1-15-8-10-16(11-9-15)19-7-4-12-22(19)14-23-20(24)18-6-3-2-5-17(18)13-21-23/h2-3,5-6,8-11,13,19H,4,7,12,14H2,1H3/p+1/t19-/m1/s1