5-fluoranyl-4-(2-fluoranylethyl)-3-(8-fluoranylquinolin-7-yl)-3,4-dimethyl-2-[(Z)-oct-2-en-3-yl]-1-oxidanylidene-piperazine-1,4-diium-2-carboxylic acid iodide

Systemtic Name: 5-fluoranyl-4-(2-fluoranylethyl)-3-(8-fluoranylquinolin-7-yl)-3,4-dimethyl-2-[(Z)-oct-2-en-3-yl]-1-oxidanylidene-piperazine-1,4-diium-2-carboxylic acid iodide Openeye Name: 2-[(1Z)-1-ethylidenehexyl]-5-fluoro-4-(2-fluoroethyl)-3-(8-fluoro-7-quinolyl)-3,4-dimethyl-1-oxo-piperazine-1,4-diium-2-carboxylic acid iodide CAS Name: 5-fluoro-4-(2-fluoroethyl)-3-(8-fluoro-7-quinolinyl)-3,4-dimethyl-2-[(Z)-oct-2-en-3-yl]-1-oxo-2-piperazine-1,4-diiumcarboxylic acid iodide IUPAC Name: 5-fluoro-4-(2-fluoroethyl)-3-(8-fluoroquinolin-7-yl)-3,4-dimethyl-2-[(Z)-oct-2-en-3-yl]-1-oxopiperazine-1,4-diium-2-carboxylic acid iodide Traditional Name: 2-[(Z)-1-amylprop-1-enyl]-5-fluoro-4-(2-fluoroethyl)-3-(8-fluoro-7-quinolyl)-1-keto-3,4-dimethyl-piperazine-1,4-diium-2-carboxylic acid iodide Formula: C26H34F3IN3O3+ MolecularWeight: 620.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC)C1(C([N+](C(C[N+]1=O)F)(C)CCF)(C)C2=C(C3=C(C=CC=N3)C=C2)F)C(=O)O.[I-]

Isomeric SMILES

CCCCC/C(=C/C)/C1(C([N+](C(C[N+]1=O)F)(C)CCF)(C)C2=C(C3=C(C=CC=N3)C=C2)F)C(=O)O.[I-]

InChI

InChI=1S/C26H33F3N3O3.HI/c1-5-7-8-11-19(6-2)26(24(33)34)25(3,32(4,16-14-27)21(28)17-31(26)35)20-13-12-18-10-9-15-30-23(18)22(20)29;/h6,9-10,12-13,15,21H,5,7-8,11,14,16-17H2,1-4H3;1H/q+1;/b19-6-;