2-[4-[2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[2-(6-fluoro-4-oxo-quinazolin-3-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-(6-fluoro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-(6-fluoro-4-keto-quinazolin-3-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C23H25FN5O3+ MolecularWeight: 438.474703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H24FN5O3/c24-16-6-7-20-19(12-16)23(32)29(15-25-20)14-22(31)27-18-8-10-28(11-9-18)13-21(30)26-17-4-2-1-3-5-17/h1-7,12,15,18H,8-11,13-14H2,(H,26,30)(H,27,31)/p+1