[(3S)-1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C23H28FN4O+ MolecularWeight: 395.493023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C23H27FN4O/c1-26(2)19-11-12-27(16-19)14-17-15-28(18-7-5-4-6-8-18)25-23(17)21-10-9-20(29-3)13-22(21)24/h4-10,13,15,19H,11-12,14,16H2,1-3H3/p+1/t19-/m0/s1