N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(3-pyridyl)cinchoninamide Formula: C26H25N4O+ MolecularWeight: 409.5029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O/c31-26(28-21-12-14-30(18-21)17-19-7-2-1-3-8-19)23-15-25(20-9-6-13-27-16-20)29-24-11-5-4-10-22(23)24/h1-11,13,15-16,21H,12,14,17-18H2,(H,28,31)/p+1/t21-/m0/s1