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

Systemtic Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-3-phenyl-phthalazine-1-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C24H28N4O3/c1-17(2)21(27-12-14-31-15-13-27)16-25-23(29)22-19-10-6-7-11-20(19)24(30)28(26-22)18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3,(H,25,29)/p+1/t21-/m0/s1