N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-(4-pyridyl)cinchoninamide Formula: C25H26N5OS+ MolecularWeight: 444.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C25H25N5OS/c31-24(29-25-27-19(17-32-25)16-30-13-5-1-2-6-14-30)21-15-23(18-9-11-26-12-10-18)28-22-8-4-3-7-20(21)22/h3-4,7-12,15,17H,1-2,5-6,13-14,16H2,(H,27,29,31)/p+1