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

Systemtic Name: 3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]phthalazine-1-carboxamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c1-25-22(28)18-10-6-5-9-17(18)20(24-25)21(27)23-19(16-7-3-2-4-8-16)15-26-11-13-29-14-12-26/h2-10,19H,11-15H2,1H3,(H,23,27)/p+1/t19-/m1/s1