3-[[2-[(2,4-dimethoxyphenyl)amino]quinolin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[2-[(2,4-dimethoxyphenyl)amino]quinolin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(2,4-dimethoxyanilino)quinoline-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[2-(2,4-dimethoxyanilino)-4-quinolinyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(2,4-dimethoxyanilino)quinoline-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-(2,4-dimethoxyanilino)quinoline-4-carbonyl]amino]propyl]-methyl-ammonium Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=C(C=C(C=C3)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=C(C=C(C=C3)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N4O3/c1-33(20-21-10-5-4-6-11-21)17-9-16-30-29(34)24-19-28(31-25-13-8-7-12-23(24)25)32-26-15-14-22(35-2)18-27(26)36-3/h4-8,10-15,18-19H,9,16-17,20H2,1-3H3,(H,30,34)(H,31,32)/p+1