(4-ethoxy-4-oxidanylidene-butyl)-[4-(5-fluoranyl-4-methyl-quinolin-1-ium-1-yl)butyl]-dimethyl-azanium

Systemtic Name: (4-ethoxy-4-oxidanylidene-butyl)-[4-(5-fluoranyl-4-methyl-quinolin-1-ium-1-yl)butyl]-dimethyl-azanium Openeye Name: (4-ethoxy-4-oxo-butyl)-[4-(5-fluoro-4-methyl-quinolin-1-ium-1-yl)butyl]-dimethyl-ammonium CAS Name: (4-ethoxy-4-oxobutyl)-[4-(5-fluoro-4-methyl-1-quinolin-1-iumyl)butyl]-dimethylammonium IUPAC Name: (4-ethoxy-4-oxobutyl)-[4-(5-fluoro-4-methylquinolin-1-ium-1-yl)butyl]-dimethylazanium Traditional Name: (4-ethoxy-4-keto-butyl)-[4-(5-fluoro-4-methyl-quinolin-1-ium-1-yl)butyl]-dimethyl-ammonium Formula: C22H33FN2O2+2 MolecularWeight: 376.508023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[N+](C)(C)CCCC[N+]1=C2C=CC=C(C2=C(C=C1)C)F

Isomeric SMILES

CCOC(=O)CCC[N+](C)(C)CCCC[N+]1=C2C=CC=C(C2=C(C=C1)C)F

InChI

InChI=1S/C22H33FN2O2/c1-5-27-21(26)12-9-17-25(3,4)16-7-6-14-24-15-13-18(2)22-19(23)10-8-11-20(22)24/h8,10-11,13,15H,5-7,9,12,14,16-17H2,1-4H3/q+2