1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1-[[3-(2,5-dimethyl-3-thiophenyl)-1-(2-fluorophenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NN(C=C2C[NH+]3CCC(CC3)O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NN(C=C2C[NH+]3CCC(CC3)O)C4=CC=CC=C4F

InChI

InChI=1S/C21H24FN3OS/c1-14-11-18(15(2)27-14)21-16(12-24-9-7-17(26)8-10-24)13-25(23-21)20-6-4-3-5-19(20)22/h3-6,11,13,17,26H,7-10,12H2,1-2H3/p+1