3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2-methoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)phthalazine-1-carboxamide Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H24N4O4/c1-29-19-9-5-4-8-18(19)26-22(28)17-7-3-2-6-16(17)20(24-26)21(27)23-10-11-25-12-14-30-15-13-25/h2-9H,10-15H2,1H3,(H,23,27)/p+1