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

Systemtic Name: 6-bromanyl-2-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(2-morpholin-4-ium-4-ylethyl)-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(2-morpholin-4-ium-4-ylethyl)-2-(p-tolyl)cinchoninamide Formula: C23H25BrN3O2+ MolecularWeight: 455.3675

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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)NCC[NH+]4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O2/c1-16-2-4-17(5-3-16)22-15-20(19-14-18(24)6-7-21(19)26-22)23(28)25-8-9-27-10-12-29-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,25,28)/p+1