N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H23ClN4O2/c23-18-10-4-3-9-17(18)20(27-11-5-6-12-27)14-24-21(28)13-19-15-7-1-2-8-16(15)22(29)26-25-19/h1-4,7-10,20H,5-6,11-14H2,(H,24,28)(H,26,29)/p+1/t20-/m0/s1