N-(2-morpholin-4-ium-4-ylethyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-(3-propoxyphenyl)cinchoninamide Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O3/c1-2-14-31-20-7-5-6-19(17-20)24-18-22(21-8-3-4-9-23(21)27-24)25(29)26-10-11-28-12-15-30-16-13-28/h3-9,17-18H,2,10-16H2,1H3,(H,26,29)/p+1