2-(3-bromophenyl)-6-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-6-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-6-chloro-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-6-chloro-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-6-chloro-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-6-chloro-N-(2-morpholin-4-ium-4-ylethyl)cinchoninamide Formula: C22H22BrClN3O2+ MolecularWeight: 475.78598

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)Br

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H21BrClN3O2/c23-16-3-1-2-15(12-16)21-14-19(18-13-17(24)4-5-20(18)26-21)22(28)25-6-7-27-8-10-29-11-9-27/h1-5,12-14H,6-11H2,(H,25,28)/p+1