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

Systemtic Name: 3-[[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C25H31BrN3O+ MolecularWeight: 469.43714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN3O/c1-25(2,3)18-9-7-17(8-10-18)23-16-21(24(30)27-13-6-14-29(4)5)20-15-19(26)11-12-22(20)28-23/h7-12,15-16H,6,13-14H2,1-5H3,(H,27,30)/p+1