6-bromanyl-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: 6-bromo-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylquinoline-4-carboxamide Traditional Name: 6-bromo-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-cinchoninamide Formula: C22H23BrN3O2+ MolecularWeight: 441.34092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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