N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-phenyl-phthalazine-1-carboxamide Formula: C25H25N4O3S+ MolecularWeight: 461.556

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H24N4O3S/c30-24(26-17-21(22-11-6-16-33-22)28-12-14-32-15-13-28)23-19-9-4-5-10-20(19)25(31)29(27-23)18-7-2-1-3-8-18/h1-11,16,21H,12-15,17H2,(H,26,30)/p+1/t21-/m0/s1