3-[[2-[(3,5-dimethylphenyl)amino]quinolin-4-yl]carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-[[2-[(3,5-dimethylphenyl)amino]quinolin-4-yl]carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[3-[[2-(3,5-dimethylanilino)quinoline-4-carbonyl]amino]propyl]-isopropyl-ammonium CAS Name: 3-[[[2-(3,5-dimethylanilino)-4-quinolinyl]-oxomethyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[[2-(3,5-dimethylanilino)quinoline-4-carbonyl]amino]propyl]-propan-2-ylazanium Traditional Name: benzyl-[3-[[2-(3,5-dimethylanilino)quinoline-4-carbonyl]amino]propyl]-isopropyl-ammonium Formula: C31H37N4O+ MolecularWeight: 481.65168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+](CC4=CC=CC=C4)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+](CC4=CC=CC=C4)C(C)C)C

InChI

InChI=1S/C31H36N4O/c1-22(2)35(21-25-11-6-5-7-12-25)16-10-15-32-31(36)28-20-30(34-29-14-9-8-13-27(28)29)33-26-18-23(3)17-24(4)19-26/h5-9,11-14,17-20,22H,10,15-16,21H2,1-4H3,(H,32,36)(H,33,34)/p+1