7-[3-(dimethylamino)propylamino]-6-fluoranyl-4-oxidanylidene-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-[3-(dimethylamino)propylamino]-6-fluoranyl-4-oxidanylidene-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-[3-(dimethylamino)propylamino]-6-fluoro-4-oxo-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-[3-(dimethylamino)propylamino]-6-fluoro-4-oxo-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-[3-(dimethylamino)propylamino]-6-fluoro-4-oxo-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 1-amyl-7-[3-(dimethylamino)propylamino]-6-fluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C20H29FN3O3+ MolecularWeight: 378.460963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NCCCN(C)C)F)C(=O)O

Isomeric SMILES

CCCCC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NCCCN(C)C)F)C(=O)O

InChI

InChI=1S/C20H28FN3O3/c1-4-5-6-10-24-13-15(20(26)27)19(25)14-11-16(21)17(12-18(14)24)22-8-7-9-23(2)3/h11-13,15H,4-10H2,1-3H3,(H-,22,25,26,27)/p+1