1-fluoranyl-2-oxidanylidene-4-(phenylmethyl)-4-quinazolin-5-yl-piperazine-1,4-diium-1-carboxylic acid

Systemtic Name: 1-fluoranyl-2-oxidanylidene-4-(phenylmethyl)-4-quinazolin-5-yl-piperazine-1,4-diium-1-carboxylic acid Openeye Name: 4-benzyl-1-fluoro-2-oxo-4-quinazolin-5-yl-piperazine-1,4-diium-1-carboxylic acid CAS Name: 1-fluoro-2-oxo-4-(phenylmethyl)-4-(5-quinazolinyl)-1-piperazine-1,4-diiumcarboxylic acid IUPAC Name: 4-benzyl-1-fluoro-2-oxo-4-quinazolin-5-ylpiperazine-1,4-diium-1-carboxylic acid Traditional Name: 4-benzyl-1-fluoro-2-keto-4-quinazolin-5-yl-piperazine-1,4-diium-1-carboxylic acid Formula: C20H19FN4O3+2 MolecularWeight: 382.388263

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(=O)C[N+]1(CC2=CC=CC=C2)C3=CC=CC4=NC=NC=C43)(C(=O)O)F

Isomeric SMILES

C1C[N+](C(=O)C[N+]1(CC2=CC=CC=C2)C3=CC=CC4=NC=NC=C43)(C(=O)O)F

InChI

InChI=1S/C20H18FN4O3/c21-25(20(27)28)10-9-24(13-19(25)26,12-15-5-2-1-3-6-15)18-8-4-7-17-16(18)11-22-14-23-17/h1-8,11,14H,9-10,12-13H2/q+1/p+1