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

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]phthalazine-1-carboxamide Formula: C27H27N4O2+ MolecularWeight: 439.52888

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2/c32-26(28-19-24(30-17-9-10-18-30)20-11-3-1-4-12-20)25-22-15-7-8-16-23(22)27(33)31(29-25)21-13-5-2-6-14-21/h1-8,11-16,24H,9-10,17-19H2,(H,28,32)/p+1/t24-/m0/s1