6-bromanyl-2-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolyl)cinchoninamide Formula: C24H27BrN3O2+ MolecularWeight: 469.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C24H26BrN3O2/c1-17-3-5-18(6-4-17)23-16-21(20-15-19(25)7-8-22(20)27-23)24(29)26-9-2-10-28-11-13-30-14-12-28/h3-8,15-16H,2,9-14H2,1H3,(H,26,29)/p+1