N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H21N5O3/c26-19(11-17-15-3-1-2-4-16(15)20(27)24-23-17)22-13-14-5-6-18(21-12-14)25-7-9-28-10-8-25/h1-6,12H,7-11,13H2,(H,22,26)(H,24,27)/p+1