2-(3-bromophenyl)-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(1-methyl-4-piperidin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(1-methylpiperidin-1-ium-4-yl)cinchoninamide Formula: C22H23BrN3O+ MolecularWeight: 425.34152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O/c1-26-11-9-17(10-12-26)24-22(27)19-14-21(15-5-4-6-16(23)13-15)25-20-8-3-2-7-18(19)20/h2-8,13-14,17H,9-12H2,1H3,(H,24,27)/p+1