3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3,5-dimethoxyphenyl)-4-keto-N-(2-morpholin-4-ium-4-ylethyl)phthalazine-1-carboxamide Formula: C23H27N4O5+ MolecularWeight: 439.48428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5/c1-30-17-13-16(14-18(15-17)31-2)27-23(29)20-6-4-3-5-19(20)21(25-27)22(28)24-7-8-26-9-11-32-12-10-26/h3-6,13-15H,7-12H2,1-2H3,(H,24,28)/p+1