N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C27H26ClN4O2+ MolecularWeight: 473.97394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H25ClN4O2/c28-23-15-7-6-14-22(23)24(31-16-8-9-17-31)18-29-26(33)25-20-12-4-5-13-21(20)27(34)32(30-25)19-10-2-1-3-11-19/h1-7,10-15,24H,8-9,16-18H2,(H,29,33)/p+1/t24-/m0/s1