6,8-bis(fluoranyl)-4-oxidanylidene-7-pyrrolidin-1-yl-1-tetradecyl-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-4-oxidanylidene-7-pyrrolidin-1-yl-1-tetradecyl-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 6,8-difluoro-4-oxo-7-pyrrolidin-1-yl-1-tetradecyl-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-1-tetradecyl-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 6,8-difluoro-4-oxo-7-pyrrolidin-1-yl-1-tetradecyl-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-1-myristyl-7-pyrrolidino-3H-quinolin-1-ium-3-carboxylic acid Formula: C28H41F2N2O3+ MolecularWeight: 491.633546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1=CC(C(=O)C2=CC(=C(C(=C21)F)N3CCCC3)F)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1=CC(C(=O)C2=CC(=C(C(=C21)F)N3CCCC3)F)C(=O)O

InChI

InChI=1S/C28H40F2N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-32-20-22(28(34)35)27(33)21-19-23(29)26(24(30)25(21)32)31-16-14-15-17-31/h19-20,22H,2-18H2,1H3/p+1