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

Systemtic Name: 3-[[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[6-bromo-2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C22H25BrN3O+ MolecularWeight: 427.3574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O/c1-15-6-4-7-16(12-15)21-14-19(22(27)24-10-5-11-26(2)3)18-13-17(23)8-9-20(18)25-21/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,24,27)/p+1