3-ethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]phthalazine-1-carboxamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H23N5O3/c1-2-26-21(28)17-6-4-3-5-16(17)19(24-26)20(27)23-14-15-7-8-18(22-13-15)25-9-11-29-12-10-25/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)/p+1