2-pyridin-2-yl-N-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-pyridin-2-yl-N-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1R,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: 2-(2-pyridinyl)-N-[(1R,2R)-1-(1-pyrrolidin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-2-yl-N-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1R,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-2-(2-pyridyl)cinchoninamide Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C26H26N4OS/c1-18(25(24-12-8-16-32-24)30-14-6-7-15-30)28-26(31)20-17-23(22-11-4-5-13-27-22)29-21-10-3-2-9-19(20)21/h2-5,8-13,16-18,25H,6-7,14-15H2,1H3,(H,28,31)/p+1/t18-,25-/m1/s1