2-(1-ethylpyrazol-4-yl)-7-fluoranyl-N-methyl-N-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-7-fluoranyl-N-methyl-N-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-4-pyrazolyl)-7-fluoro-N-methyl-N-[[(2R)-1-methyl-2-pyrrolidin-1-iumyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]quinoline-4-carboxamide Traditional Name: 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]cinchoninamide Formula: C22H27FN5O+ MolecularWeight: 396.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=C(C=CC(=C3)F)C(=C2)C(=O)N(C)CC4CCC[NH+]4C

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=C(C=CC(=C3)F)C(=C2)C(=O)N(C)C[C@H]4CCC[NH+]4C

InChI

InChI=1S/C22H26FN5O/c1-4-28-13-15(12-24-28)20-11-19(18-8-7-16(23)10-21(18)25-20)22(29)27(3)14-17-6-5-9-26(17)2/h7-8,10-13,17H,4-6,9,14H2,1-3H3/p+1/t17-/m1/s1