N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H21N5O2/c1-3-24(4-2)17-13(8-7-11-20-17)12-21-19(26)16-14-9-5-6-10-15(14)18(25)23-22-16/h5-11H,3-4,12H2,1-2H3,(H,21,26)(H,23,25)/p+1