N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-phthalazine-1-carboxamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c27-21(23-11-6-12-25-13-15-29-16-14-25)20-18-9-4-5-10-19(18)22(28)26(24-20)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,23,27)/p+1