2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[(7-fluoranyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl]azanium

Systemtic Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[(7-fluoranyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl]azanium Openeye Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[(7-fluoro-2-oxo-1-phenethyl-3-quinolyl)methyl]ammonium CAS Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[(7-fluoro-2-oxo-1-phenethyl-3-quinolinyl)methyl]ammonium IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[(7-fluoro-2-oxo-1-phenethylquinolin-3-yl)methyl]azanium Traditional Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[(7-fluoro-2-keto-1-phenethyl-3-quinolyl)methyl]ammonium Formula: C25H28FN4O+ MolecularWeight: 419.514423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC[NH2+]CC2=CC3=C(C=C(C=C3)F)N(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1)C)CC[NH2+]CC2=CC3=C(C=C(C=C3)F)N(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H27FN4O/c1-17-23(18(2)29-28-17)10-12-27-16-21-14-20-8-9-22(26)15-24(20)30(25(21)31)13-11-19-6-4-3-5-7-19/h3-9,14-15,27H,10-13,16H2,1-2H3,(H,28,29)/p+1