3-(3,5-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(3,5-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3,5-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3,5-dimethoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3,5-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3,5-dimethoxyphenyl)-4-keto-N-(3-morpholin-4-ium-4-ylpropyl)phthalazine-1-carboxamide Formula: C24H29N4O5+ MolecularWeight: 453.51086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CCOCC4)OC

InChI

InChI=1S/C24H28N4O5/c1-31-18-14-17(15-19(16-18)32-2)28-24(30)21-7-4-3-6-20(21)22(26-28)23(29)25-8-5-9-27-10-12-33-13-11-27/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,25,29)/p+1