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

Systemtic Name: 3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-(4-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=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

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

InChI

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