3-[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]propyl-bis(2-methylpropyl)azanium

Systemtic Name: 3-[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]propyl-bis(2-methylpropyl)azanium Openeye Name: 3-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]propyl-diisobutyl-ammonium CAS Name: 3-[[[2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]propyl-bis(2-methylpropyl)ammonium IUPAC Name: 3-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]propyl-bis(2-methylpropyl)azanium Traditional Name: 3-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]propyl-diisobutyl-ammonium Formula: C29H40N3O+ MolecularWeight: 446.6474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+](CC(C)C)CC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+](CC(C)C)CC(C)C)C

InChI

InChI=1S/C29H39N3O/c1-20(2)18-32(19-21(3)4)15-9-14-30-29(33)26-17-28(24-13-12-22(5)23(6)16-24)31-27-11-8-7-10-25(26)27/h7-8,10-13,16-17,20-21H,9,14-15,18-19H2,1-6H3,(H,30,33)/p+1