1-ethyl-6,8-bis(fluoranyl)-7-methyl-4-oxidanylidene-1-piperazin-1-yl-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-methyl-4-oxidanylidene-1-piperazin-1-yl-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-methyl-4-oxo-1-piperazin-1-yl-quinolin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-methyl-4-oxo-1-(1-piperazinyl)-3-quinolin-1-iumcarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-methyl-4-oxo-1-piperazin-1-ylquinolin-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-methyl-1-piperazino-quinolin-1-ium-3-carboxylic acid Formula: C17H20F2N3O3+ MolecularWeight: 352.355806

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C(=O)C2=CC(=C(C(=C21)F)C)F)C(=O)O)N3CCNCC3

Isomeric SMILES

CC[N+]1(C=C(C(=O)C2=CC(=C(C(=C21)F)C)F)C(=O)O)N3CCNCC3

InChI

InChI=1S/C17H19F2N3O3/c1-3-22(21-6-4-20-5-7-21)9-12(17(24)25)16(23)11-8-13(18)10(2)14(19)15(11)22/h8-9,20H,3-7H2,1-2H3/p+1