8-chloranyl-1-cyclopropyl-1-fluoranyl-2-heptan-3-yl-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-1-fluoranyl-2-heptan-3-yl-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-2-(1-ethylpentyl)-1-fluoro-4-oxo-quinolin-1-ium-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-1-fluoro-2-heptan-3-yl-4-oxo-3-quinolin-1-iumcarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-1-fluoro-2-heptan-3-yl-4-oxoquinolin-1-ium-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-2-(1-ethylpentyl)-1-fluoro-4-keto-quinolin-1-ium-3-carboxylic acid Formula: C20H24ClFNO3+ MolecularWeight: 380.860863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C(=O)C2=C([N+]1(C3CC3)F)C(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=C(C(=O)C2=C([N+]1(C3CC3)F)C(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C20H23ClFNO3/c1-3-5-7-12(4-2)17-16(20(25)26)19(24)14-8-6-9-15(21)18(14)23(17,22)13-10-11-13/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3/p+1