ethyl 7-(azepan-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-(azepan-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylate CAS Name: 7-(1-azepanyl)-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylate Traditional Name: 7-(azepan-1-yl)-1-ethyl-6-fluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H26FN2O3+ MolecularWeight: 361.430443

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)C(=O)OCC

Isomeric SMILES

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)C(=O)OCC

InChI

InChI=1S/C20H26FN2O3/c1-3-22-13-15(20(25)26-4-2)19(24)14-11-16(21)18(12-17(14)22)23-9-7-5-6-8-10-23/h11-13,15H,3-10H2,1-2H3/q+1