1-dodecyl-6-fluoranyl-4-oxidanylidene-7-(3-oxidanylpropylamino)-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-dodecyl-6-fluoranyl-4-oxidanylidene-7-(3-oxidanylpropylamino)-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-dodecyl-6-fluoro-7-(3-hydroxypropylamino)-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 1-dodecyl-6-fluoro-7-(3-hydroxypropylamino)-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 1-dodecyl-6-fluoro-7-(3-hydroxypropylamino)-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 6-fluoro-7-(3-hydroxypropylamino)-4-keto-1-lauryl-3H-quinolin-1-ium-3-carboxylic acid Formula: C25H38FN2O4+ MolecularWeight: 449.578623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NCCCO)F)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NCCCO)F)C(=O)O

InChI

InChI=1S/C25H37FN2O4/c1-2-3-4-5-6-7-8-9-10-11-14-28-18-20(25(31)32)24(30)19-16-21(26)22(17-23(19)28)27-13-12-15-29/h16-18,20,29H,2-15H2,1H3,(H-,27,30,31,32)/p+1