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

Systemtic Name: 3-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-(3-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(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

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

InChI

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