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

Systemtic Name: 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Openeye Name: 1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium CAS Name: 1-[[3-(2,5-dimethyl-3-thiophenyl)-1-(2-fluorophenyl)-4-pyrazolyl]methyl]-4-methoxypiperidin-1-ium IUPAC Name: 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-methoxypiperidin-1-ium Traditional Name: 1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Formula: C22H27FN3OS+ MolecularWeight: 400.532683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3OS/c1-15-12-19(16(2)28-15)22-17(13-25-10-8-18(27-3)9-11-25)14-26(24-22)21-7-5-4-6-20(21)23/h4-7,12,14,18H,8-11,13H2,1-3H3/p+1