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

Systemtic Name: 3-(4-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-morpholin-4-ium-4-ylethyl)-3-p-phenetyl-phthalazine-1-carboxamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C23H26N4O4/c1-2-31-18-9-7-17(8-10-18)27-23(29)20-6-4-3-5-19(20)21(25-27)22(28)24-11-12-26-13-15-30-16-14-26/h3-10H,2,11-16H2,1H3,(H,24,28)/p+1