[(3S,4R)-1-(7-carboxy-9-cyclopropyl-3-fluoranyl-1-methyl-6-oxidanylidene-quinolizin-2-yl)-4-cyclopropyl-pyrrolidin-3-yl]azanium chloride

Systemtic Name: [(3S,4R)-1-(7-carboxy-9-cyclopropyl-3-fluoranyl-1-methyl-6-oxidanylidene-quinolizin-2-yl)-4-cyclopropyl-pyrrolidin-3-yl]azanium chloride Openeye Name: [(3S,4R)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxo-quinolizin-2-yl)-4-cyclopropyl-pyrrolidin-3-yl]ammonium chloride CAS Name: [(3S,4R)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxo-2-quinolizinyl)-4-cyclopropyl-3-pyrrolidinyl]ammonium chloride IUPAC Name: [(3S,4R)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxoquinolizin-2-yl)-4-cyclopropylpyrrolidin-3-yl]azanium chloride Traditional Name: [(3S,4R)-1-(7-carboxy-9-cyclopropyl-3-fluoro-6-keto-1-methyl-quinolizin-2-yl)-4-cyclopropyl-pyrrolidin-3-yl]ammonium chloride Formula: C21H25ClFN3O3 MolecularWeight: 421.892903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C(C4)[NH3+])C5CC5.[Cl-]

Isomeric SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4C[C@H]([C@@H](C4)[NH3+])C5CC5.[Cl-]

InChI

InChI=1S/C21H24FN3O3.ClH/c1-10-18-13(11-2-3-11)6-14(21(27)28)20(26)25(18)8-16(22)19(10)24-7-15(12-4-5-12)17(23)9-24;/h6,8,11-12,15,17H,2-5,7,9,23H2,1H3,(H,27,28);1H/t15-,17+;/m0./s1