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

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)cinchoninamide Formula: C26H31BrN3O2+ MolecularWeight: 497.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C26H30BrN3O2/c1-2-3-4-19-5-7-20(8-6-19)25-18-23(22-17-21(27)9-10-24(22)29-25)26(31)28-11-12-30-13-15-32-16-14-30/h5-10,17-18H,2-4,11-16H2,1H3,(H,28,31)/p+1