2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-(2-thienyl)pyrazole-3-carboxamide Formula: C23H28FN4OS+ MolecularWeight: 427.558023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C23H27FN4OS/c1-17-6-2-3-13-27(17)14-5-12-25-23(29)21-16-20(22-7-4-15-30-22)26-28(21)19-10-8-18(24)9-11-19/h4,7-11,15-17H,2-3,5-6,12-14H2,1H3,(H,25,29)/p+1/t17-/m0/s1