dimethyl-[(2R)-3-methyl-1-[(2-pyridin-3-ylquinolin-4-yl)carbonylamino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[(2-pyridin-3-ylquinolin-4-yl)carbonylamino]butan-2-yl]azanium Openeye Name: dimethyl-[(1R)-2-methyl-1-[[[2-(3-pyridyl)quinoline-4-carbonyl]amino]methyl]propyl]ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]amino]butan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-3-methyl-1-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]butan-2-yl]azanium Traditional Name: dimethyl-[(1R)-2-methyl-1-[[[2-(3-pyridyl)quinoline-4-carbonyl]amino]methyl]propyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)[NH+](C)C

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)[NH+](C)C

InChI

InChI=1S/C22H26N4O/c1-15(2)21(26(3)4)14-24-22(27)18-12-20(16-8-7-11-23-13-16)25-19-10-6-5-9-17(18)19/h5-13,15,21H,14H2,1-4H3,(H,24,27)/p+1/t21-/m0/s1