7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentyl-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 1-amyl-7-(cyclohexylamino)-6-fluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C21H28FN2O3+ MolecularWeight: 375.457023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)O

Isomeric SMILES

CCCCC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)O

InChI

InChI=1S/C21H27FN2O3/c1-2-3-7-10-24-13-16(21(26)27)20(25)15-11-17(22)18(12-19(15)24)23-14-8-5-4-6-9-14/h11-14,16H,2-10H2,1H3,(H-,23,25,26,27)/p+1