7-(3-azanylpyrrolidin-1-ium-1-yl)-6-fluoranyl-4-oxidanylidene-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid chloride

Systemtic Name: 7-(3-azanylpyrrolidin-1-ium-1-yl)-6-fluoranyl-4-oxidanylidene-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid chloride Openeye Name: 7-(3-aminopyrrolidin-1-ium-1-yl)-6-fluoro-4-oxo-1-thiazol-2-yl-quinoline-3-carboxylic acid chloride CAS Name: 7-(3-amino-1-pyrrolidin-1-iumyl)-6-fluoro-4-oxo-1-(2-thiazolyl)-3-quinolinecarboxylic acid chloride IUPAC Name: 7-(3-aminopyrrolidin-1-ium-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid chloride Traditional Name: 7-(3-aminopyrrolidin-1-ium-1-yl)-6-fluoro-4-keto-1-thiazol-2-yl-quinoline-3-carboxylic acid chloride Formula: C17H16ClFN4O3S MolecularWeight: 410.850343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=CS4)F.[Cl-]

Isomeric SMILES

C1C[NH+](CC1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=CS4)F.[Cl-]

InChI

InChI=1S/C17H15FN4O3S.ClH/c18-12-5-10-13(6-14(12)21-3-1-9(19)7-21)22(17-20-2-4-26-17)8-11(15(10)23)16(24)25;/h2,4-6,8-9H,1,3,7,19H2,(H,24,25);1H