[(3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone CAS Name: [(3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone Formula: C21H23FN3O2S+ MolecularWeight: 400.489623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC(C3)C(=O)C4=CC=CS4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC=CS4)F

InChI

InChI=1S/C21H22FN3O2S/c1-27-16-6-7-17(18(22)10-16)20-15(11-23-24-20)13-25-8-2-4-14(12-25)21(26)19-5-3-9-28-19/h3,5-7,9-11,14H,2,4,8,12-13H2,1H3,(H,23,24)/p+1/t14-/m0/s1