[(3S)-1-(7-carboxy-9-cyclopropyl-3-fluoranyl-1-methyl-6-oxidanylidene-quinolizin-2-yl)pyrrolidin-3-yl]-propyl-azanium chloride

Systemtic Name: [(3S)-1-(7-carboxy-9-cyclopropyl-3-fluoranyl-1-methyl-6-oxidanylidene-quinolizin-2-yl)pyrrolidin-3-yl]-propyl-azanium chloride Openeye Name: [(3S)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxo-quinolizin-2-yl)pyrrolidin-3-yl]-propyl-ammonium chloride CAS Name: [(3S)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxo-2-quinolizinyl)-3-pyrrolidinyl]-propylammonium chloride IUPAC Name: [(3S)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxoquinolizin-2-yl)pyrrolidin-3-yl]-propylazanium chloride Traditional Name: [(3S)-1-(7-carboxy-9-cyclopropyl-3-fluoro-6-keto-1-methyl-quinolizin-2-yl)pyrrolidin-3-yl]-propyl-ammonium chloride Formula: C21H27ClFN3O3 MolecularWeight: 423.908783

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C.[Cl-]

Isomeric SMILES

CCC[NH2+][C@H]1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C.[Cl-]

InChI

InChI=1S/C21H26FN3O3.ClH/c1-3-7-23-14-6-8-24(10-14)19-12(2)18-15(13-4-5-13)9-16(21(27)28)20(26)25(18)11-17(19)22;/h9,11,13-14,23H,3-8,10H2,1-2H3,(H,27,28);1H/t14-;/m0./s1