1-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3R)-3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5R)-5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C19H21FN3OS+ MolecularWeight: 358.452943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H20FN3OS/c20-15-7-5-14(6-8-15)17-12-16(18-4-3-11-25-18)21-23(17)19(24)13-22-9-1-2-10-22/h3-8,11,17H,1-2,9-10,12-13H2/p+1/t17-/m1/s1