N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-3-phenyl-phthalazine-1-carboxamide Formula: C25H24N5O3+ MolecularWeight: 442.48976

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3/c31-24(27-17-18-10-11-26-22(16-18)29-12-14-33-15-13-29)23-20-8-4-5-9-21(20)25(32)30(28-23)19-6-2-1-3-7-19/h1-11,16H,12-15,17H2,(H,27,31)/p+1