3-[[6-bromanyl-2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[6-bromanyl-2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[6-bromo-2-(4-ethylphenyl)-4-quinolinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C23H27BrN3O+ MolecularWeight: 441.38398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C23H26BrN3O/c1-4-16-6-8-17(9-7-16)22-15-20(23(28)25-12-5-13-27(2)3)19-14-18(24)10-11-21(19)26-22/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,25,28)/p+1