N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22FN4O3+ MolecularWeight: 397.422783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O3/c22-15-7-5-14(6-8-15)18(26-9-11-29-12-10-26)13-23-21(28)19-16-3-1-2-4-17(16)20(27)25-24-19/h1-8,18H,9-13H2,(H,23,28)(H,25,27)/p+1/t18-/m1/s1