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

Systemtic Name: 2-cyclopropyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-cyclopropyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-cyclopropyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-cyclopropyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-cyclopropyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]cinchoninamide Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C25H27N3O/c29-25(22-15-24(20-11-12-20)27-23-6-2-1-5-21(22)23)26-16-18-7-9-19(10-8-18)17-28-13-3-4-14-28/h1-2,5-10,15,20H,3-4,11-14,16-17H2,(H,26,29)/p+1