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

Systemtic Name: 1-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3S)-3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(5S)-5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C19H21FN3O2S+ MolecularWeight: 374.452343

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H20FN3O2S/c20-15-5-3-14(4-6-15)17-12-16(18-2-1-11-26-18)21-23(17)19(24)13-22-7-9-25-10-8-22/h1-6,11,17H,7-10,12-13H2/p+1/t17-/m0/s1