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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3H-phthalazine-1-carboxamide Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H19N5O3/c25-18-15-4-2-1-3-14(15)17(22-23-18)19(26)21-12-13-5-6-16(20-11-13)24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,21,26)(H,23,25)/p+1