2-pyridin-3-yl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-pyridin-3-yl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(3-pyridyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-(3-pyridinyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-3-yl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(3-pyridyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]cinchoninamide Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C27H26N4O/c32-27(29-18-20-8-1-2-9-22(20)19-31-14-5-6-15-31)24-16-26(21-10-7-13-28-17-21)30-25-12-4-3-11-23(24)25/h1-4,7-13,16-17H,5-6,14-15,18-19H2,(H,29,32)/p+1