butyl-(phenylmethyl)-[3-[(2-pyridin-3-ylquinolin-4-yl)carbonylamino]propyl]azanium

Systemtic Name: butyl-(phenylmethyl)-[3-[(2-pyridin-3-ylquinolin-4-yl)carbonylamino]propyl]azanium Openeye Name: benzyl-butyl-[3-[[2-(3-pyridyl)quinoline-4-carbonyl]amino]propyl]ammonium CAS Name: butyl-[3-[[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]propyl]azanium Traditional Name: benzyl-butyl-[3-[[2-(3-pyridyl)quinoline-4-carbonyl]amino]propyl]ammonium Formula: C29H33N4O+ MolecularWeight: 453.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCC[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N4O/c1-2-3-18-33(22-23-11-5-4-6-12-23)19-10-17-31-29(34)26-20-28(24-13-9-16-30-21-24)32-27-15-8-7-14-25(26)27/h4-9,11-16,20-21H,2-3,10,17-19,22H2,1H3,(H,31,34)/p+1