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

Systemtic Name: 3-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)phthalazine-1-carboxamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4/c1-30-18-7-4-6-17(16-18)27-23(29)20-9-3-2-8-19(20)21(25-27)22(28)24-10-5-11-26-12-14-31-15-13-26/h2-4,6-9,16H,5,10-15H2,1H3,(H,24,28)/p+1