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

Systemtic Name: 2-(3-bromophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(2-morpholin-4-ium-4-ylethyl)cinchoninamide Formula: C22H23BrN3O2+ MolecularWeight: 441.34092

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN3O2/c23-17-5-3-4-16(14-17)21-15-19(18-6-1-2-7-20(18)25-21)22(27)24-8-9-26-10-12-28-13-11-26/h1-7,14-15H,8-13H2,(H,24,27)/p+1