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

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-phenyl-phthalazine-1-carboxamide Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-26(28-24(20-9-3-1-4-10-20)19-30-15-17-34-18-16-30)25-22-13-7-8-14-23(22)27(33)31(29-25)21-11-5-2-6-12-21/h1-14,24H,15-19H2,(H,28,32)/p+1/t24-/m1/s1