N-(1-propan-2-ylpiperidin-1-ium-4-yl)-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-(1-propan-2-yl-4-piperidin-1-iumyl)-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-(3-pyridyl)cinchoninamide Formula: C23H27N4O+ MolecularWeight: 375.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C23H26N4O/c1-16(2)27-12-9-18(10-13-27)25-23(28)20-14-22(17-6-5-11-24-15-17)26-21-8-4-3-7-19(20)21/h3-8,11,14-16,18H,9-10,12-13H2,1-2H3,(H,25,28)/p+1